Geometry & MOs

Info

ID:	13345
PubChem CID:	226365
Reduced:	O7H20C21 (1)
Stoich.:	A7B20C21 (1)
Weight, g/mol:	384.120903
ΔH_f, kcal/mol:	-215.22
Dipole, Da:	3.72
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[3-(4-acetyloxy-3-methoxyphenyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC(=O)C)OC)OC

DOS

IR

Vibrations