Geometry & MOs

Info

ID:	441480
PubChem CID:	135235292
Reduced:	OSF3N5C19H22 (1)
Stoich.:	ABC3D5E19F22 (1)
Weight, g/mol:	232.193949
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	9.17
IP(EA), eV:	-8.51(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2,2,3,6-tetramethyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CCS(=O)C1=C(N=C(N1C)CCC2CC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations