Geometry & MOs

Info

ID:	212529
PubChem CID:	81060854
Reduced:	N3C16H23 (1)
Stoich.:	A3B16C23 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	9.39
Dipole, Da:	4.71
IP(EA), eV:	-9.12(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)NC(C)C2CCCCC2

DOS

IR

Vibrations