Geometry & MOs

Info

ID:	1329
PubChem CID:	4175
Reduced:	OC6H9 (4)
Stoich.:	AB6C9 (4)
Weight, g/mol:	388.26136
ΔH_f, kcal/mol:	-209.32
Dipole, Da:	5.66
IP(EA), eV:	-8.91(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,7-dimethyl-8-[2-(6-oxooxan-2-yl)ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CCCC(=O)O3)C

DOS

IR

Vibrations