Geometry & MOs

Info

ID:	429962
PubChem CID:	135170017
Reduced:	OPSF3N8H18C22 (1)
Stoich.:	ABCD3E8F18G22 (1)
Weight, g/mol:	279.117176
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	8.99
IP(EA), eV:	-8.82(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-6-phenylpyridin-3-yl)-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

CSC1=NC=C(C2=CC=CC=C21)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)P)C(F)(F)F

DOS

IR

Vibrations