Geometry & MOs

Info

ID:	166127
PubChem CID:	74641063
Reduced:	BrN2O3H21C24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	494.08412
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	1.6
IP(EA), eV:	-8.76(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(3,4-dimethoxyphenyl)-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OC)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations