Geometry & MOs

Info

ID:	29242
PubChem CID:	832504
Reduced:	NO2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	-122.09
Dipole, Da:	0.27
IP(EA), eV:	-9.0(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-benzoyl-2-carbamoylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations