Geometry & MOs

Info

ID:	362401
PubChem CID:	127307746
Reduced:	O2N5C20H23 (1)
Stoich.:	A2B5C20D23 (1)
Weight, g/mol:	351.169525
ΔH_f, kcal/mol:	1.16
Dipole, Da:	8.94
IP(EA), eV:	-8.71(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations