Geometry & MOs

Info

ID:	71830
PubChem CID:	48415515
Reduced:	O3N5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	17.06
Dipole, Da:	6.52
IP(EA), eV:	-9.19(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,5-dimethoxyphenyl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)[N+](=O)[O-])C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations