Geometry & MOs

Info

ID:	360364
PubChem CID:	127301009
Reduced:	SO3N6C17H20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-13.58
Dipole, Da:	3.08
IP(EA), eV:	-9.74(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCC(C1)N2C=NC=N2)S(=O)(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations