Geometry & MOs

Info

ID:	156779
PubChem CID:	56385595
Reduced:	BrN2O5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	391.097977
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	8.43
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-2-[3-(3,4-dimethoxyphenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NOC(=O)N2CCOC3=CC=C(C=C3)Br)OC

DOS

IR

Vibrations