Geometry & MOs

Info

ID:	22010
PubChem CID:	594983
Reduced:	OC10H12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	4.7
IP(EA), eV:	-8.52(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-12a-methyl-2,3,4b,5,6,10b,11,12-octahydrochrysen-1-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1=CCCC2=O)CCC4=C3C=CC(=C4)OC

DOS

IR

Vibrations