Geometry & MOs

Info

ID:	361196
PubChem CID:	127302140
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-69.07
Dipole, Da:	7.22
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCCN(CC1)C(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations