Geometry & MOs

Info

ID:	43075
PubChem CID:	10318343
Reduced:	O5C24H24 (1)
Stoich.:	A5B24C24 (1)
Weight, g/mol:	392.162374
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	2.35
IP(EA), eV:	-8.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,7R,8R)-8-(3,4-dimethoxyphenyl)-7-methyl-3-phenylmethoxybicyclo[4.2.0]oct-3-ene-2,5-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC3=C(C(O2)O)C(=CC=C3)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations