Geometry & MOs

Info

ID:	448783
PubChem CID:	135293583
Reduced:	ClFON2H8C12 (1)
Stoich.:	ABCD2E8F12 (1)
Weight, g/mol:	228.069891
ΔH_f, kcal/mol:	-4.63
Dipole, Da:	2.3
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[5-(hydroxymethyl)pyridin-3-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1C=C(C=C(C1=C=O)F)C2=CN=CC(=N2)Cl

DOS

IR

Vibrations