Geometry & MOs

Info

ID:	184866
PubChem CID:	77221437
Reduced:	FIO2N7H19C21 (1)
Stoich.:	ABC2D7E19F21 (1)
Weight, g/mol:	264.010183
ΔH_f, kcal/mol:	35.55
Dipole, Da:	4.03
IP(EA), eV:	-9.22(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloro-4-hydroxy-6-oxo-3H-pyridin-5-yl)-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1OC2C(NNC(=O)C2C3=CC(=C(C=C3)C#N)F)C#N)C4=NC=C(C=N4)I

DOS

IR

Vibrations