Geometry & MOs

Info

ID:	129897
PubChem CID:	51074206
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	-85.94
Dipole, Da:	1.98
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)COCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations