Geometry & MOs

Info

ID:	144042
PubChem CID:	53304757
Reduced:	ClNSiO4C30H52 (1)
Stoich.:	ABCD4E30F52 (1)
Weight, g/mol:	420.200462
ΔH_f, kcal/mol:	-265.1
Dipole, Da:	1.98
IP(EA), eV:	-8.9(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoro-4,6,10,12-tetramethyl-8-phenyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-5-yl)ethynyl-trimethylsilane

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

CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/C1=C[C@@H](CCC1=O)O[Si](C)(C)C(C)(C)C)OC

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

CCCCCCC[C@@H](C/C=C/CCC(=O)NC/C(=C/Cl)/C1=C[C@@H](CCC1=O)O[Si](C)(C)C(C)(C)C)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):