Geometry & MOs

Info

ID:	83709
PubChem CID:	49860429
Reduced:	ClN2O4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	348.090852
ΔH_f, kcal/mol:	-120.09
Dipole, Da:	5.0
IP(EA), eV:	-8.49(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-4-pyridin-4-ylpyrimidin-2-amine;dihydrochloride

Drug info:

PubChemData

Smile

C1CC2C[C@@H]([C@@H]1NC2)C3=CC(=C(C=C3)O)O.C1=CC(=C(C=C1CCN)O)O.Cl

DOS

IR

Vibrations