Geometry & MOs

Info

ID:	368536
PubChem CID:	127329373
Reduced:	N2S2O3C19H28 (1)
Stoich.:	A2B2C3D19E28 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-125.64
Dipole, Da:	6.86
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations