Geometry & MOs

Info

ID:	216090
PubChem CID:	85085695
Reduced:	S2O4C7H12 (1)
Stoich.:	A2B4C7D12 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-151.69
Dipole, Da:	2.7
IP(EA), eV:	-8.55(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3a-prop-2-enyl-4,5-dihydro-3H-cyclopenta[a]naphthalen-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(S(=O)CCS1=O)C

DOS

IR

Vibrations