Geometry & MOs

Info

ID:	412440
PubChem CID:	135085335
Reduced:	BOSiN3F4C30H36 (1)
Stoich.:	ABCD3E4F30G36 (1)
Weight, g/mol:	482.262764
ΔH_f, kcal/mol:	-321.35
Dipole, Da:	21.51
IP(EA), eV:	-9.13(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl-[diphenyl-[(5R)-2-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-yl]methoxy]-dimethylsilane

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

[B-](F)(F)(F)F.CC(C)(C)[Si](C)(C)OC([C@H]1CCC2=NN(C=[N+]12)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

[B-](F)(F)(F)F.CC(C)(C)[Si](C)(C)OC([C@H]1CCC2=NN(C=[N+]12)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):