Geometry & MOs

Info

ID:	55977
PubChem CID:	17398105
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-28.78
Dipole, Da:	5.82
IP(EA), eV:	-9.18(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-cyano-3-ethylpyrido[1,2-a]benzimidazol-1-yl)amino]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C(=O)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations