Geometry & MOs

Info

ID:	352767
PubChem CID:	127283856
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	12.16
Dipole, Da:	1.33
IP(EA), eV:	-9.37(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations