Geometry & MOs

Info

ID:	72103
PubChem CID:	48415815
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	415.161995
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	6.81
IP(EA), eV:	-8.57(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations