Geometry & MOs

Info

ID:	175472
PubChem CID:	75909508
Reduced:	ClON2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	416.161518
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752347
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylamino]-N-(1-ethylpiperidin-3-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC[NH+]1CCCC(C1)NC(=O)C2(CC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations