Geometry & MOs

Info

ID:	198355
PubChem CID:	79091531
Reduced:	SO2N3C7H13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	-52.93
Dipole, Da:	3.32
IP(EA), eV:	-9.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCNCC1C#N

DOS

IR

Vibrations