Geometry & MOs

Info

ID:

85928

PubChem CID:

49880305

Reduced:

ClN3C14H17 (1)

Stoich.:

AB3C14D17 (1)

Weight, g/mol:

292.121665

ΔHf, kcal/mol:

57.65

Dipole, Da:

0.79

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.839246

Charge, e:

 -1

Chem-info

IUPAC name:

4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;chloride

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=CC(=N2)C)C)C.[Cl-]

DOS

IR

Vibrations