Geometry & MOs

Info

ID:	173980
PubChem CID:	75707762
Reduced:	ClN3O4C25H38 (1)
Stoich.:	AB3C4D25E38 (1)
Weight, g/mol:	505.270735
ΔH_f, kcal/mol:	-142.47
Dipole, Da:	8.15
IP(EA), eV:	-9.52(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chloro-5-nitrophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N-hexylcyclohexanecarboxamide

Drug info:

PubChemData

Smile

CCCCCCN(C(C1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)NC(C)(C)C)C(=O)C2CCCCC2

DOS

IR

Vibrations