Geometry & MOs

Info

ID:	122594
PubChem CID:	50813740
Reduced:	ClN3O4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	403.16444
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	6.36
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(C(=O)N(C1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations