Geometry & MOs

Info

ID:	374168
PubChem CID:	131324785
Reduced:	INSO2H6C11 (1)
Stoich.:	ABCD2E6F11 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	5.52
IP(EA), eV:	-9.56(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C2C=C(SC2=C1CC(=O)O)C#N)I

DOS

IR

Vibrations