Geometry & MOs

Info

ID:	352256
PubChem CID:	127283338
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	318.12628
ΔH_f, kcal/mol:	-84.79
Dipole, Da:	4.83
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCC(CC2)OC3CCCC3

DOS

IR

Vibrations