Geometry & MOs

Info

ID:	296586
PubChem CID:	117585422
Reduced:	SN5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	263.210996
ΔH_f, kcal/mol:	94.61
Dipole, Da:	4.4
IP(EA), eV:	-8.79(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylpentyl)-6-piperazin-1-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CSC(=C1)NC2=NC=NC(=C2)NCCC#N

DOS

IR

Vibrations