Geometry & MOs

Info

ID:	126673
PubChem CID:	50973082
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	349.186238
ΔH_f, kcal/mol:	51.95
Dipole, Da:	2.75
IP(EA), eV:	-9.09(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethyl-5-oxo-3-piperidin-4-yl-1,2,4-triazol-1-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NNC2=O)C3=CC=NN3)C

DOS

IR

Vibrations