Geometry & MOs

Info

ID:	385958
PubChem CID:	134980401
Reduced:	O2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	206.167065
ΔH_f, kcal/mol:	-32.72
Dipole, Da:	2.12
IP(EA), eV:	-9.06(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8S,8aR)-4a,6,7,8-tetramethyl-2,3,4,5,8,8a-hexahydronaphthalen-1-one

Drug info:

PubChemData

Smile

COC(=O)C12CC1C3=CC=CC=C3C=C2

DOS

IR

Vibrations