Geometry & MOs

Info

ID:	381195
PubChem CID:	134971850
Reduced:	IO2C31H53 (1)
Stoich.:	AB2C31D53 (1)
Weight, g/mol:	254.188195
ΔH_f, kcal/mol:	-187.64
Dipole, Da:	3.12
IP(EA), eV:	-9.46(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-4a,5,6-trimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl) acetate

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2C1(CCC3C2CCC4C3(CC(C(C4)(C)I)(C)OC(=O)C)C)C

DOS

IR

Vibrations