Geometry & MOs

Info

ID:	361174
PubChem CID:	127302118
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	4.22
IP(EA), eV:	-8.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-(1-propylpiperidin-4-yl)cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCN(CC3)CC(=O)N4CCCCC4

DOS

IR

Vibrations