Geometry & MOs

Info

ID:	25047
PubChem CID:	617731
Reduced:	OC18H24 (1)
Stoich.:	AB18C24 (1)
Weight, g/mol:	256.182715
ΔH_f, kcal/mol:	-66.71
Dipole, Da:	3.21
IP(EA), eV:	-8.81(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3,7,7-tetramethyl-1,2,5,6-tetrahydro-s-indacen-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C2C(=CC3=C1CCC3(C)C)CCC2(C)C

DOS

IR

Vibrations