Geometry & MOs

Info

ID:	352910
PubChem CID:	127284000
Reduced:	ClON7C17H18 (1)
Stoich.:	ABC7D17E18 (1)
Weight, g/mol:	319.110296
ΔH_f, kcal/mol:	74.96
Dipole, Da:	5.91
IP(EA), eV:	-9.64(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations