Geometry & MOs

Info

ID:	215954
PubChem CID:	85085494
Reduced:	NO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	203.095771
ΔH_f, kcal/mol:	-73.79
Dipole, Da:	1.7
IP(EA), eV:	-10.33(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2-fluoro-3-(hydroxymethyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(=CC(=O)O)C(=O)C2=C1C=NC=C2

DOS

IR

Vibrations