Geometry & MOs

Info

ID:	387674
PubChem CID:	134986411
Reduced:	O2C11H16 (1)
Stoich.:	A2B11C16 (1)
Weight, g/mol:	228.151415
ΔH_f, kcal/mol:	-36.95
Dipole, Da:	1.35
IP(EA), eV:	-9.09(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-(2-methylpropyl)-1,2,3,8b-tetrahydrocyclopenta[a]inden-4-one

Drug info:

PubChemData

Smile

CC1(C2(C1(OC)OC)C=CC=C2)C

DOS

IR

Vibrations