Geometry & MOs

Info

ID:	361198
PubChem CID:	127302153
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-35.78
Dipole, Da:	7.17
IP(EA), eV:	-8.75(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations