Geometry & MOs

Info

ID:	35431
PubChem CID:	7979851
Reduced:	ClN3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	355.093498
ΔH_f, kcal/mol:	-57.51
Dipole, Da:	5.45
IP(EA), eV:	-9.82(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-(cyclohexylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@](C)(C#N)NC(=O)COC1=C(C=C(C=C1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations