Geometry & MOs

Info

ID:	236363
PubChem CID:	92712537
Reduced:	N3O5H17C21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	391.116821
ΔH_f, kcal/mol:	-20.28
Dipole, Da:	5.42
IP(EA), eV:	-8.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C4=CC=CC=C34)OC

DOS

IR

Vibrations