Geometry & MOs

Info

ID:	35312
PubChem CID:	7979672
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	362.103335
ΔH_f, kcal/mol:	-65.89
Dipole, Da:	2.4
IP(EA), eV:	-9.21(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations