Geometry & MOs

Info

ID:	356646
PubChem CID:	127292065
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	334.211724
ΔH_f, kcal/mol:	35.3
Dipole, Da:	1.46
IP(EA), eV:	-8.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3=CN4C=CSC4=N3

DOS

IR

Vibrations