Geometry & MOs

Info

ID:	361183
PubChem CID:	127302127
Reduced:	ON3C9H10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	20.35
Dipole, Da:	4.63
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC3=NN=C4N3CCCCC4

DOS

IR

Vibrations