Geometry & MOs

Info

ID:	161679
PubChem CID:	57392311
Reduced:	N5C17H19 (1)
Stoich.:	A5B17C19 (1)
Weight, g/mol:	265.132746
ΔH_f, kcal/mol:	67.78
Dipole, Da:	8.47
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C#N)NC3CCCC3

DOS

IR

Vibrations