Geometry & MOs

Info

ID:	10750
PubChem CID:	107571
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-148.44
Dipole, Da:	1.81
IP(EA), eV:	-8.79(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCOC(=O)C=CC1=CC(=C(C=C1)O)OC

DOS

IR

Vibrations