Geometry & MOs

Info

ID:	12639
PubChem CID:	142336
Reduced:	OH10C13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	182.073165
ΔH_f, kcal/mol:	-6.06
Dipole, Da:	2.39
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydrophenalen-2-one

Drug info:

PubChemData

Smile

C1C(=O)CC2=CC=CC3=C2C1=CC=C3

DOS

IR

Vibrations