Geometry & MOs

Info

ID:	129418
PubChem CID:	51072526
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	-67.95
Dipole, Da:	6.92
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-N-(4-piperidin-1-ylphenyl)-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)NCC(C2=CC=C(C=C2)[N+](=O)[O-])O)C

DOS

IR

Vibrations