Geometry & MOs

Info

ID:	5504
PubChem CID:	13245
Reduced:	O3C10H10 (1)
Stoich.:	A3B10C10 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	6.84
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations