Geometry & MOs

Info

ID:	346854
PubChem CID:	127271358
Reduced:	SO2N6C14H24 (1)
Stoich.:	AB2C6D14E24 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	8.48
IP(EA), eV:	-9.37(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]-N-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C(C)NC(=O)CCSC2=NN=NN2C

DOS

IR

Vibrations