Geometry & MOs

Info

ID:	216940
PubChem CID:	85087015
Reduced:	ON2F3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	318.089209
ΔH_f, kcal/mol:	-67.67
Dipole, Da:	3.48
IP(EA), eV:	-8.84(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)benzoic acid

Drug info:

PubChemData

Smile

C=CCN1C(=C2C=CC(=O)C=C2)C3C=CC=C(C3=N1)C(F)(F)F

DOS

IR

Vibrations