Geometry & MOs

Info

ID:	369134
PubChem CID:	127331366
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	392.151826
ΔH_f, kcal/mol:	4.58
Dipole, Da:	6.36
IP(EA), eV:	-9.08(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N(C)C(C3CC3)C4CC4

DOS

IR

Vibrations