Geometry & MOs

Info

ID:	358441
PubChem CID:	127296009
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	306.216809
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	6.73
IP(EA), eV:	-8.98(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCC3=NN=C4N3CCC4

DOS

IR

Vibrations