Geometry & MOs

Info

ID:	35361
PubChem CID:	7979754
Reduced:	ClN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	380.077514
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	2.59
IP(EA), eV:	-9.16(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations