Geometry & MOs

Info

ID:	212647
PubChem CID:	81061301
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	230.116761
ΔH_f, kcal/mol:	98.73
Dipole, Da:	2.09
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)N(CCC#N)C2=CC=CC=C2

DOS

IR

Vibrations