Geometry & MOs

Info

ID:	361221
PubChem CID:	127302176
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	1.45
Dipole, Da:	6.91
IP(EA), eV:	-8.45(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NC3=NC4=C(S3)CCCCCC4

DOS

IR

Vibrations