Geometry & MOs

Info

ID:	145923
PubChem CID:	53613453
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	343.204196
ΔH_f, kcal/mol:	-22.17
Dipole, Da:	3.94
IP(EA), eV:	-8.91(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N,N-dimethylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCCN(CC2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations