Geometry & MOs

Info

ID:	381963
PubChem CID:	134972844
Reduced:	O4C17H26 (1)
Stoich.:	A4B17C26 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-206.55
Dipole, Da:	3.33
IP(EA), eV:	-9.61(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S,5aS)-5,8,8a-trimethyl-2-oxo-3,4,5a,6,7,8-hexahydro-1H-acenaphthylene-5-carboxylate

Drug info:

PubChemData

Smile

CC1CC[C@H]2C(=CCC[C@]2(C)C(=O)OC)[C@@]1(C)CC(=O)O

DOS

IR

Vibrations