Geometry & MOs

Info

ID:	352768
PubChem CID:	127283857
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	331.212058
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	4.47
IP(EA), eV:	-9.22(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations