Geometry & MOs

Info

ID:	361197
PubChem CID:	127302152
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	6.66
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)CNC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations