Geometry & MOs

Info

ID:	49181
PubChem CID:	11528795
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.141244
ΔH_f, kcal/mol:	-33.35
Dipole, Da:	3.34
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,8S,8aS)-1-acetyl-6-hydroxy-8,8a-dimethyl-1,3,4,6,7,8-hexahydronaphthalen-2-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C3(C1)CCC(OO3)OO

DOS

IR

Vibrations