Geometry & MOs

Info

ID:	361173
PubChem CID:	127302117
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-41.62
Dipole, Da:	6.14
IP(EA), eV:	-8.92(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N3CCN(CC3)CC(=O)NC4CC4

DOS

IR

Vibrations