Geometry & MOs

Info

ID:	128940
PubChem CID:	51063982
Reduced:	OCl2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	2.08
Dipole, Da:	4.63
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methylpiperazin-1-yl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations