Geometry & MOs

Info

ID:	402404
PubChem CID:	135055858
Reduced:	O3C18H20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	302.151809
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	3.02
IP(EA), eV:	-8.81(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2,4,6-trimethoxyphenyl)-2,3,4,5,6,7-hexahydroinden-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H](/C=C/C(=O)OC)C2C=CCC=C2

DOS

IR

Vibrations