Geometry & MOs

Info

ID:	131798
PubChem CID:	51262309
Reduced:	ClSN3O3C18H22 (1)
Stoich.:	ABC3D3E18F22 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-104.8
Dipole, Da:	3.02
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-oxo-N-[1-oxo-1-(propylamino)propan-2-yl]-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NC(=O)C1=C(N=C(S1)COC2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations