Geometry & MOs

Info

ID:	14549
PubChem CID:	414483
Reduced:	OC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	274.19328
ΔH_f, kcal/mol:	-118.21
Dipole, Da:	5.36
IP(EA), eV:	-9.74(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12a-methyl-3,4,4a,4b,5,6,9,10,10a,10b,11,12-dodecahydro-2H-naphtho[2,1-f]chromen-8-one

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCCO2)CCC4=CC(=O)CCC34

DOS

IR

Vibrations