Geometry & MOs

Info

ID:	361185
PubChem CID:	127302129
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	0.74
Dipole, Da:	9.24
IP(EA), eV:	-8.37(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpiperidin-4-yl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CSC(=N2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations