Geometry & MOs

Info

ID:	210088
PubChem CID:	80760538
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	267.148396
ΔH_f, kcal/mol:	83.15
Dipole, Da:	1.56
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CCCC1=C(N=CN=C1NC2=CC=CC=C2C#N)NC

DOS

IR

Vibrations