Geometry & MOs

Info

ID:	23469
PubChem CID:	603878
Reduced:	BrN2O2H19C23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	434.06299
ΔH_f, kcal/mol:	7.54
Dipole, Da:	4.07
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(benzylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-bromobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations