Geometry & MOs

Info

ID:	358538
PubChem CID:	127296134
Reduced:	ON6C21H32 (1)
Stoich.:	AB6C21D32 (1)
Weight, g/mol:	292.201159
ΔH_f, kcal/mol:	3.25
Dipole, Da:	4.18
IP(EA), eV:	-8.67(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=C2N1C=CC=C2)NC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations