Geometry & MOs

Info

ID:	127590
PubChem CID:	51007622
Reduced:	FN2O4C38H45 (1)
Stoich.:	AB2C4D38E45 (1)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-203.92
Dipole, Da:	8.06
IP(EA), eV:	-8.82(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,6S,7S)-7-(3,4-dimethoxyphenyl)-5-methoxy-6-methyl-3-prop-2-enylbicyclo[3.2.1]oct-3-ene-2,8-dione

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)N(CCCCC2CC3=C(C=CC(=C3)O)C4C2C5CC[C@@H](C5(C[C@@H]4F)C)O)CC6=CC=CC=C6

DOS

IR

Vibrations