Geometry & MOs

Info

ID:	236379
PubChem CID:	92712602
Reduced:	BrN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	374.066949
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	2.57
IP(EA), eV:	-9.19(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-(1,3-benzodioxol-5-yloxymethyl)-2-(3-chlorophenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H]2N(N=C(O2)COC3=CC=C(C=C3)Br)C(=O)C

DOS

IR

Vibrations