Geometry & MOs

Info

ID:	175474
PubChem CID:	75909534
Reduced:	O3N5C17H22 (1)
Stoich.:	A3B5C17D22 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	33.15
Dipole, Da:	6.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752625
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylpiperidin-3-yl)-4-imidazol-1-yl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCCC(C1)NC(=O)C2=CC(=C(C=C2)N3C=CN=C3)[N+](=O)[O-]

DOS

IR

Vibrations