Geometry & MOs

Info

ID:	221796
PubChem CID:	85286152
Reduced:	BrNO8H30C31 (1)
Stoich.:	ABC8D30E31 (1)
Weight, g/mol:	624.265044
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	4.37
IP(EA), eV:	-8.31(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN1CC2OC(C1=O)C(O2)C(=O)OC3(CCC4=C(C5=CC6=CC=CC=C6C=C5C(=C4C3)OC(=O)C)CBr)C(=O)C

DOS

IR

Vibrations