Geometry & MOs

Info

ID:	647
PubChem CID:	3133
Reduced:	O4C19H20 (1)
Stoich.:	A4B19C20 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-105.28
Dipole, Da:	5.13
IP(EA), eV:	-8.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl 3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)OCCC2=CC=CC=C2)OC

DOS

IR

Vibrations