Geometry & MOs

Info

ID:	23482
PubChem CID:	603928
Reduced:	BrO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	359.02694
ΔH_f, kcal/mol:	-0.02
Dipole, Da:	1.97
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-hydrazinyl-3-oxo-1-phenylprop-1-en-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=C(C(=O)NN)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations