Geometry & MOs

Info

ID:	361231
PubChem CID:	127302186
Reduced:	O2N3C14H15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	3.98
Dipole, Da:	6.62
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N(C)C3CC3

DOS

IR

Vibrations