Geometry & MOs

Info

ID:	158742
PubChem CID:	56468259
Reduced:	ClON3C20H30 (1)
Stoich.:	ABC3D20E30 (1)
Weight, g/mol:	410.231791
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	5.44
IP(EA), eV:	-8.46(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-butylcyclopentyl)-3-nitro-4-(1-pyridin-2-ylethylamino)benzamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)C2CCN(CC2)C3=NC=C(C=C3)Cl

DOS

IR

Vibrations