Geometry & MOs

Info

ID:	368461
PubChem CID:	127328746
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-7.08
Dipole, Da:	7.07
IP(EA), eV:	-9.11(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)NC3CCN(CC3)C4CC4

DOS

IR

Vibrations