Geometry & MOs

Info

ID:	362408
PubChem CID:	127307753
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	36.53
Dipole, Da:	5.72
IP(EA), eV:	-8.75(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations