Geometry & MOs

Info

ID:	186564
PubChem CID:	77445638
Reduced:	NO9C17H31 (1)
Stoich.:	AB9C17D31 (1)
Weight, g/mol:	494.33961
ΔH_f, kcal/mol:	-390.94
Dipole, Da:	3.86
IP(EA), eV:	-9.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2,6a,6b,9,9,11,12a-octamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(COC)OC)OC)(C(=O)OC)OC)OC

DOS

IR

Vibrations