Geometry & MOs

Info

ID:	23481
PubChem CID:	603927
Reduced:	BrN2O2H17C19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	384.04734
ΔH_f, kcal/mol:	-1.49
Dipole, Da:	3.29
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-oxo-1-phenyl-3-(prop-2-enylamino)prop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations