Geometry & MOs

Info

ID:	27281
PubChem CID:	820205
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	152.047344
ΔH_f, kcal/mol:	-24.45
Dipole, Da:	1.59
IP(EA), eV:	-8.82(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR)-3-(hydroxymethylidene)-6,6a-dihydro-3aH-cyclopenta[b]furan-2-one

Drug info:

PubChemData

Smile

C[C@@H](CNC1=CC=CC=N1)O

DOS

IR

Vibrations