Geometry & MOs

Info

ID:	337712
PubChem CID:	127258335
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	4.81
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(5-bromo-2-methylphenyl)-2-(ethoxymethylidene)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)C

DOS

IR

Vibrations