Geometry & MOs

Info

ID:	9546
PubChem CID:	90758
Reduced:	C9H16 (2)
Stoich.:	A9B16 (2)
Weight, g/mol:	248.250401
ΔH_f, kcal/mol:	-67.84
Dipole, Da:	0.12
IP(EA), eV:	-10.0(3.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-1,3,3-trimethyl-3a,4,5,6,7,7a-hexahydro-2H-indene

Drug info:

PubChemData

Smile

CC1(CC(C2C1CCCC2)(C)C3CCCCC3)C

DOS

IR

Vibrations