Geometry & MOs

Info

ID:	296462
PubChem CID:	117576283
Reduced:	N3C6H10 (2)
Stoich.:	A3B6C10 (2)
Weight, g/mol:	260.174945
ΔH_f, kcal/mol:	52.42
Dipole, Da:	6.75
IP(EA), eV:	-8.89(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)NC1=NC=NC(=C1)NCCN(C)C

DOS

IR

Vibrations