Geometry & MOs

Info

ID:	222273
PubChem CID:	85295949
Reduced:	O2C5H6 (3)
Stoich.:	A2B5C6 (3)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-229.74
Dipole, Da:	6.53
IP(EA), eV:	-10.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1COC(=O)C2C1C34CC(C(=C)C(=O)C3O)OC4(O2)C

DOS

IR

Vibrations