Geometry & MOs

Info

ID:	338666
PubChem CID:	127259677
Reduced:	NO2H19C24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	419.152144
ΔH_f, kcal/mol:	27.22
Dipole, Da:	6.64
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations