Geometry & MOs

Info

ID:	66155
PubChem CID:	46500330
Reduced:	BrO4N8C16H17 (1)
Stoich.:	AB4C8D16E17 (1)
Weight, g/mol:	480.166979
ΔH_f, kcal/mol:	64.35
Dipole, Da:	3.28
IP(EA), eV:	-8.68(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(N=NN1C2=NON=C2N)C(=O)NN/C=C/3\C=C(C(=O)C(=C3)Br)OCC

DOS

IR

Vibrations