Geometry & MOs

Info

ID:	7289
PubChem CID:	71941
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	8.67
IP(EA), eV:	-8.68(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)O)OC

DOS

IR

Vibrations