Geometry & MOs

Info

ID:	352762
PubChem CID:	127283851
Reduced:	OSN6C15H18 (1)
Stoich.:	ABC6D15E18 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	100.37
Dipole, Da:	4.91
IP(EA), eV:	-9.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=CS2)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations