Geometry & MOs

Info

ID:	162083
PubChem CID:	57393556
Reduced:	ClN4O4F6H33C34 (1)
Stoich.:	AB4C4D6E33F34 (1)
Weight, g/mol:	359.020387
ΔH_f, kcal/mol:	-388.81
Dipole, Da:	4.3
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5,6-dichloro-2-(trifluoromethyl)benzimidazol-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

C1CC1N(CC2=C(C=CC(=C2)CNC(=O)CC(F)(F)F)Cl)C(=O)[C@H]3CNCC(=O)N3C4=CC=C(C=C4)CCCOC5=C(C=CC(=C5F)F)F

DOS

IR

Vibrations