Geometry & MOs

Info

ID:	412384
PubChem CID:	135085275
Reduced:	ClON3F6H14C20 (1)
Stoich.:	ABC3D6E14F20 (1)
Weight, g/mol:	555.250032
ΔH_f, kcal/mol:	-241.88
Dipole, Da:	11.46
IP(EA), eV:	-7.22(-2.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5R)-2-benzyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-4-ium-5-yl]methoxy-tert-butyl-diphenylsilane;tetrafluoroborate

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

C1[C@@H]2[C@H](C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.[Cl-]

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

C1[C@@H]2[C@H](C3=CC=CC=C31)[N+]4=CN(N=C4CO2)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F.[Cl-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):