Geometry & MOs

Info

ID:	296106
PubChem CID:	117556859
Reduced:	N5C15H17 (1)
Stoich.:	A5B15C17 (1)
Weight, g/mol:	235.179696
ΔH_f, kcal/mol:	71.06
Dipole, Da:	5.3
IP(EA), eV:	-8.48(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-6-piperazin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=NC=NC(=C2)NCCC#N)C

DOS

IR

Vibrations