Geometry & MOs

Info

ID:	89761
PubChem CID:	49964409
Reduced:	BrO3N6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	468.027121
ΔH_f, kcal/mol:	68.32
Dipole, Da:	7.02
IP(EA), eV:	-8.64(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(E)-[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=N/N=C(\C2=NON=C2N)/N)Br)OCC3=CC=C(C=C3)C

DOS

IR

Vibrations