Geometry & MOs

Info

ID:	209132
PubChem CID:	80628309
Reduced:	ClN2O4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	258.080456
ΔH_f, kcal/mol:	-33.52
Dipole, Da:	4.0
IP(EA), eV:	-9.77(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[5-(hydroxymethyl)-3-methylpyridin-2-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])OC2=NC=C(C=C2)CO)Cl

DOS

IR

Vibrations