Geometry & MOs

Info

ID:	297118
PubChem CID:	117609737
Reduced:	O2N7C27H27 (1)
Stoich.:	A2B7C27D27 (1)
Weight, g/mol:	347.049331
ΔH_f, kcal/mol:	63.93
Dipole, Da:	6.2
IP(EA), eV:	-8.56(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(trifluoromethoxy)-2-[6-(trifluoromethyl)pyridin-3-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(C)(C)C#N)C3=NN4C=CN=C4C(=C3)N5CCOCC5

DOS

IR

Vibrations