Geometry & MOs

Info

ID:	343527
PubChem CID:	127266700
Reduced:	N7C19H21 (1)
Stoich.:	A7B19C21 (1)
Weight, g/mol:	313.109423
ΔH_f, kcal/mol:	111.22
Dipole, Da:	4.73
IP(EA), eV:	-8.75(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-chlorophenyl)-2-methylpiperazin-1-yl]pyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=NC=N2)N3CCC(CC3)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations