Geometry & MOs

Info

ID:	210087
PubChem CID:	80760537
Reduced:	ClN6C13H17 (1)
Stoich.:	AB6C13D17 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	48.22
Dipole, Da:	3.26
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(methylamino)-5-propylpyrimidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations