Geometry & MOs

Info

ID:	12016
PubChem CID:	125978
Reduced:	O3C12H17 (2)
Stoich.:	A3B12C17 (2)
Weight, g/mol:	418.235539
ΔH_f, kcal/mol:	-286.51
Dipole, Da:	3.12
IP(EA), eV:	-8.92(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)C(=O)C

DOS

IR

Vibrations