Geometry & MOs

Info

ID:	361175
PubChem CID:	127302119
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	5.91
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)C2=NN(C3=CC=CC=C3C2=O)C

DOS

IR

Vibrations