Geometry & MOs

Info

ID:	374630
PubChem CID:	131342057
Reduced:	NO2C6H9 (1)
Stoich.:	AB2C6D9 (1)
Weight, g/mol:	126.025169
ΔH_f, kcal/mol:	-46.43
Dipole, Da:	1.9
IP(EA), eV:	-10.02(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-2H-1,4-thiazine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(CO1)C(CO)C#N

DOS

IR

Vibrations