Geometry & MOs

Info

ID:	220239
PubChem CID:	85176981
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-37.1
Dipole, Da:	5.3
IP(EA), eV:	-9.28(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3a,5-dimethyl-2,9b-dihydro-1H-cyclopenta[a]naphthalen-3-one

Drug info:

PubChemData

Smile

CC1C2(C1(C(=O)OC2)C=CC3=CC=CC=C3)C

DOS

IR

Vibrations