Geometry & MOs

Info

ID:	372191
PubChem CID:	131294225
Reduced:	ClO2N3H6C8 (1)
Stoich.:	AB2C3D6E8 (1)
Weight, g/mol:	221.085207
ΔH_f, kcal/mol:	62.77
Dipole, Da:	2.39
IP(EA), eV:	-9.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-3,4-dihydroxyphenyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NON(C2=N)O)Cl

DOS

IR

Vibrations