Geometry & MOs

Info

ID:	15230
PubChem CID:	434064
Reduced:	OC10H17 (2)
Stoich.:	AB10C17 (2)
Weight, g/mol:	306.25588
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	5.55
IP(EA), eV:	-9.39(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,4,4a,6,7,8-hexahydronaphthalene-2,3-dione

Drug info:

PubChemData

Smile

CCC(C)CCC1(C(CCC2(C1CC(=O)C(=O)C2C)C)C)C

DOS

IR

Vibrations