Geometry & MOs

Info

ID:	166126
PubChem CID:	74641055
Reduced:	BrN2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	464.07356
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	1.48
IP(EA), eV:	-8.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=C(C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations