Geometry & MOs

Info

ID:	72186
PubChem CID:	48415902
Reduced:	ClON3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	361.140197
ΔH_f, kcal/mol:	11.36
Dipole, Da:	4.3
IP(EA), eV:	-9.14(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations