Geometry & MOs

Info

ID:	429969
PubChem CID:	135170024
Reduced:	ISO2N5H20C22 (1)
Stoich.:	ABC2D5E20F22 (1)
Weight, g/mol:	335.179776
ΔH_f, kcal/mol:	44.26
Dipole, Da:	6.69
IP(EA), eV:	-8.67(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-fluoro-6-phenylpyridin-3-yl)-4,6-di(propan-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC2=C(N=C1)N(C=C2C3=CC4=C(C=CN=C4C=C3)N5CCOCC5)SI

DOS

IR

Vibrations