Geometry & MOs

Info

ID:	71943
PubChem CID:	48415643
Reduced:	OCl2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-9.93
Dipole, Da:	1.53
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-3-pyridin-3-ylpropanamide

Drug info:

PubChemData

Smile

CC1(CC1(Cl)Cl)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations