Geometry & MOs

Info

ID:	212580
PubChem CID:	81061079
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-41.98
Dipole, Da:	4.29
IP(EA), eV:	-10.0(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=N1)C)C#N)OC2CCOC2

DOS

IR

Vibrations