Geometry & MOs

Info

ID:	236355
PubChem CID:	92712514
Reduced:	ClN3O5H10C14 (1)
Stoich.:	AB3C5D10E14 (1)
Weight, g/mol:	428.148455
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	8.25
IP(EA), eV:	-9.58(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(9-ethylcarbazol-3-yl)-5-(4-nitrophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC(=CC=C2)Cl)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations