Geometry & MOs

Info

ID:	189934
PubChem CID:	77925675
Reduced:	O3C23H30 (1)
Stoich.:	A3B23C30 (1)
Weight, g/mol:	398.282095
ΔH_f, kcal/mol:	-136.39
Dipole, Da:	3.64
IP(EA), eV:	-9.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5a-methyl-3-[1-methyl-2-(3-methylbutan-2-yl)-4-oxocyclohex-2-en-1-yl]spiro[1,1a,1b,2,3,4,5,6a-octahydrocyclopropa[a]indene-6,5'-oxolane]-2'-one

Drug info:

PubChemData

Smile

CCC12CCC3C4CCC(=O)C=C4C5CC5C3C1CCC26CCC(=O)O6

DOS

IR

Vibrations