Geometry & MOs

Info

ID:	426809
PubChem CID:	135153998
Reduced:	ClSN3O4C18H22 (1)
Stoich.:	ABC3D4E18F22 (1)
Weight, g/mol:	438.212787
ΔH_f, kcal/mol:	-124.41
Dipole, Da:	5.82
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methyl-N-[2-(triazol-1-yl)ethyl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations