Geometry & MOs

Info

ID:	9207
PubChem CID:	87155
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-87.47
Dipole, Da:	4.27
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)O

DOS

IR

Vibrations