Geometry & MOs

Info

ID:	1946
PubChem CID:	5407
Reduced:	O3C19H24 (1)
Stoich.:	A3B19C24 (1)
Weight, g/mol:	300.172545
ΔH_f, kcal/mol:	-134.44
Dipole, Da:	5.37
IP(EA), eV:	-10.0(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C

DOS

IR

Vibrations