Geometry & MOs

Info

ID:	236456
PubChem CID:	92713105
Reduced:	O4N5C19H19 (1)
Stoich.:	A4B5C19D19 (1)
Weight, g/mol:	376.05349
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	11.74
IP(EA), eV:	-8.78(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-5-(4-bromophenyl)-2-[(3,5-dimethylpyrazol-1-yl)methyl]-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=C(C=C(C=C2)OC)OC)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations