Geometry & MOs

Info

ID:	156586
PubChem CID:	56371251
Reduced:	BrON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	351.096754
ΔH_f, kcal/mol:	3.55
Dipole, Da:	4.71
IP(EA), eV:	-8.84(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)C(=O)N3CCC(CC3)N4CCCC4

DOS

IR

Vibrations