Geometry & MOs

Info

ID:	9584
PubChem CID:	91224
Reduced:	C5H8 (3)
Stoich.:	A5B8 (3)
Weight, g/mol:	204.187801
ΔH_f, kcal/mol:	-0.32
Dipole, Da:	1.41
IP(EA), eV:	-8.3(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6,9-tetramethyl-1,4,4a,5,7,9a-hexahydrobenzo[7]annulene

Drug info:

PubChemData

Smile

CC1=CCC2C(C1)CC(CC=C2C)(C)C

DOS

IR

Vibrations