Geometry & MOs

Info

ID:	88698
PubChem CID:	49956146
Reduced:	BrClNOC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	340.117642
ΔH_f, kcal/mol:	32.47
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750024
Charge, e:	-1

Chem-info

IUPAC name:

4-amino-N-[2-[(4-ethoxyphenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;chloride

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCNCC2=CC=C(C=C2)Br.[Cl-]

DOS

IR

Vibrations