Geometry & MOs

Info

ID:	381197
PubChem CID:	134971853
Reduced:	O2C27H48 (1)
Stoich.:	A2B27C48 (1)
Weight, g/mol:	252.20893
ΔH_f, kcal/mol:	-184.34
Dipole, Da:	4.03
IP(EA), eV:	-9.85(2.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)O)C)C

DOS

IR

Vibrations