Geometry & MOs

Info

ID:	125223
PubChem CID:	50915672
Reduced:	OF3N5H14C20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	395.17461
ΔH_f, kcal/mol:	-84.99
Dipole, Da:	6.64
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-hydroxy-6-(4-methylphenyl)-2-phenylpyrimidin-4-yl]amino]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=NC=N2)NC3=CC4=C(C=C3)C(=NC=C4)N)O)C(F)(F)F

DOS

IR

Vibrations