Geometry & MOs

Info

ID:	395423
PubChem CID:	135025418
Reduced:	NO9C41H45 (1)
Stoich.:	AB9C41D45 (1)
Weight, g/mol:	283.062473
ΔH_f, kcal/mol:	-284.64
Dipole, Da:	1.92
IP(EA), eV:	-9.14(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-5-chloro-2-phenylpyrimidin-4-yl)-2-methylpropanedinitrile

Drug info:

PubChemData

Smile

CCOC(=O)/C=C(/C(=O)OCC)\N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations