Geometry & MOs

Info

ID:	126177
PubChem CID:	50954637
Reduced:	ClSO2N4C15H17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	360.133474
ΔH_f, kcal/mol:	-28.36
Dipole, Da:	8.72
IP(EA), eV:	-9.29(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-pyrazol-1-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1CC(CNC1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)O

DOS

IR

Vibrations