Geometry & MOs

Info

ID:	35316
PubChem CID:	7979678
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	381.109149
ΔH_f, kcal/mol:	-108.8
Dipole, Da:	4.5
IP(EA), eV:	-8.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[2-(cyclohexen-1-yl)ethylcarbamoyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCOC2=C(C=CC(=C2)C)C)O

DOS

IR

Vibrations