Geometry & MOs

Info

ID:	236414
PubChem CID:	92712777
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	449.02225
ΔH_f, kcal/mol:	-45.86
Dipole, Da:	7.37
IP(EA), eV:	-8.77(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(5-bromo-2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C2=NN([C@H](O2)C3=CC=CC=C3[N+](=O)[O-])C(=O)C

DOS

IR

Vibrations