Geometry & MOs

Info

ID:	18349
PubChem CID:	539798
Reduced:	O2C9H10 (1)
Stoich.:	A2B9C10 (1)
Weight, g/mol:	150.06808
ΔH_f, kcal/mol:	-46.92
Dipole, Da:	1.46
IP(EA), eV:	-9.05(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1-hydroxyethylidene)cyclopenta-1,3-dien-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=C1C=CC=C1C(=O)C)O

DOS

IR

Vibrations