Geometry & MOs

Info

ID:	70629
PubChem CID:	48413616
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	402.169191
ΔH_f, kcal/mol:	9.92
Dipole, Da:	6.46
IP(EA), eV:	-9.05(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations