Geometry & MOs

Info

ID:	406802
PubChem CID:	135078670
Reduced:	NSH13C16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	240.087433
ΔH_f, kcal/mol:	84.2
Dipole, Da:	2.87
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylprop-2-enyl)-5-(trifluoromethyl)benzimidazole

Drug info:

PubChemData

Smile

C1C(=N/C(=C\C2=CC=CC=C2)/S1)C3=CC=CC=C3

DOS

IR

Vibrations