Geometry & MOs

Info

ID:	339074
PubChem CID:	127260326
Reduced:	O3H18C19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	297.063722
ΔH_f, kcal/mol:	-71.37
Dipole, Da:	4.31
IP(EA), eV:	-9.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)/C=C/C(=O)CCOC(=O)C2=CC=CC=C2

DOS

IR

Vibrations