Geometry & MOs

Info

ID:	166128
PubChem CID:	74641064
Reduced:	BrN2O4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	494.08412
ΔH_f, kcal/mol:	-74.65
Dipole, Da:	3.21
IP(EA), eV:	-8.43(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[1-(2,4-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(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations