Geometry & MOs

Info

ID:	72032
PubChem CID:	48415735
Reduced:	ClOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	375.155847
ΔH_f, kcal/mol:	14.15
Dipole, Da:	5.99
IP(EA), eV:	-8.67(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations