Geometry & MOs

Info

ID:	18261
PubChem CID:	539245
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	294.183109
ΔH_f, kcal/mol:	-215.96
Dipole, Da:	4.39
IP(EA), eV:	-9.49(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-ylidene-2,3,4,5,8,8a-hexahydronaphthalen-2-yl) acetate

Drug info:

PubChemData

Smile

CC(=C1CC2C(CCC(C2(C)O)OC(=O)C)(CC1=O)C)C

DOS

IR

Vibrations