Geometry & MOs

Info

ID:	313819
PubChem CID:	126618064
Reduced:	ION2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	324.97121
ΔH_f, kcal/mol:	50.12
Dipole, Da:	3.41
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodobenzo[g][1,3]benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC3=C2OC(=N3)N)I

DOS

IR

Vibrations