Geometry & MOs

Info

ID:	361207
PubChem CID:	127302162
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-1.46
Dipole, Da:	6.99
IP(EA), eV:	-8.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)SC(=N2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations