Geometry & MOs

Info

ID:	313818
PubChem CID:	126618043
Reduced:	ClF4N5O5H30C31 (1)
Stoich.:	AB4C5D5E30F31 (1)
Weight, g/mol:	309.96031
ΔH_f, kcal/mol:	-328.74
Dipole, Da:	12.69
IP(EA), eV:	-9.58(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodobenzo[g][1,3]benzoxazol-2-amine

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=NN3C)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)Cl)C(=O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations