Geometry & MOs

Info

ID:	185017
PubChem CID:	77240430
Reduced:	N2O9C11H18 (1)
Stoich.:	A2B9C11D18 (1)
Weight, g/mol:	321.07283
ΔH_f, kcal/mol:	-405.87
Dipole, Da:	7.39
IP(EA), eV:	-10.23(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-bromo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol

Drug info:

PubChemData

Smile

C1C(CNC1C(=O)O)O.C(CC(=O)O)C(C(=O)O)NC(=O)O

DOS

IR

Vibrations