Geometry & MOs

Info

ID:	47836
PubChem CID:	10535550
Reduced:	O3C10H18 (1)
Stoich.:	A3B10C18 (1)
Weight, g/mol:	186.104465
ΔH_f, kcal/mol:	-143.42
Dipole, Da:	3.32
IP(EA), eV:	-10.07(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3,6,7,8-tetrahydro-2H-as-indacen-1-one

Drug info:

PubChemData

Smile

C/C=C/C1(OCCO1)CC(C)CO

DOS

IR

Vibrations