Geometry & MOs

Info

ID:	236351
PubChem CID:	92712475
Reduced:	N4O4H12C15 (1)
Stoich.:	A4B4C12D15 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	4.78
Dipole, Da:	3.48
IP(EA), eV:	-9.43(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations