Geometry & MOs

Info

ID:	183178
PubChem CID:	76986105
Reduced:	N3C12H17 (1)
Stoich.:	A3B12C17 (1)
Weight, g/mol:	265.106256
ΔH_f, kcal/mol:	44.43
Dipole, Da:	3.07
IP(EA), eV:	-8.68(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(6-oxo-3H-pyridazine-3-carbonyl)piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CNC1C2CCC3=CC=CC=C3C2NN1

DOS

IR

Vibrations