Geometry & MOs

Info

ID:	296470
PubChem CID:	117576809
Reduced:	N5C13H23 (1)
Stoich.:	A5B13C23 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	14.18
Dipole, Da:	4.01
IP(EA), eV:	-8.68(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-methylpiperazin-1-yl)-N-phenylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC(C)NC1=CC(=NC=N1)N2CCNCC2C

DOS

IR

Vibrations