Geometry & MOs

Info

ID:	393093
PubChem CID:	135019326
Reduced:	BrO3N6H27C33 (1)
Stoich.:	AB3C6D27E33 (1)
Weight, g/mol:	343.061623
ΔH_f, kcal/mol:	65.19
Dipole, Da:	13.72
IP(EA), eV:	-8.09(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1C2=C3C(=CNC3=C(C=C2)OCC4=CC=CC=C4)C5=C([C@]16CN=C(N6)OC)N/C(=C/7\C=NC8=C7C=CC(=C8)Br)/C(=O)N5

DOS

IR

Vibrations