Geometry & MOs

Info

ID:	339072
PubChem CID:	127260324
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	266.094294
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	6.56
IP(EA), eV:	-9.51(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations