Geometry & MOs

Info

ID:	361167
PubChem CID:	127302111
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	6.18
IP(EA), eV:	-8.76(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NN(C2=CC=CC=C2C1=O)C)N3CCOCC3

DOS

IR

Vibrations