Geometry & MOs

Info

ID:	399501
PubChem CID:	135040622
Reduced:	C13H20 (1)
Stoich.:	A13B20 (1)
Weight, g/mol:	224.214016
ΔH_f, kcal/mol:	-4.34
Dipole, Da:	1.02
IP(EA), eV:	-9.57(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aR,7aS)-3,3,4,5,7a-pentamethyl-2,3a,4,5,6,7-hexahydro-1H-inden-2-yl]methanol

Drug info:

PubChemData

Smile

C=C[C@@]12CCCC[C@H]1C(=C)CCC2

DOS

IR

Vibrations