Geometry & MOs

Info

ID:	236410
PubChem CID:	92712766
Reduced:	N3O7C19H19 (1)
Stoich.:	A3B7C19D19 (1)
Weight, g/mol:	371.111735
ΔH_f, kcal/mol:	-118.85
Dipole, Da:	4.23
IP(EA), eV:	-8.56(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC(=C(C=C2OC)OC)OC)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations