Geometry & MOs

Info

ID:	124214
PubChem CID:	50875008
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	443.08445
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	5.17
IP(EA), eV:	-9.04(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(2,3-dimethylphenoxy)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NCC1=NC(=NO1)C2=CC=C(C=C2)C)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations