Geometry & MOs

Info

ID:	191646
PubChem CID:	78172799
Reduced:	N2O8C39H48 (1)
Stoich.:	A2B8C39D48 (1)
Weight, g/mol:	326.00145
ΔH_f, kcal/mol:	-230.99
Dipole, Da:	4.53
IP(EA), eV:	-8.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-14-hydroxy-2,8,11,13-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-3,5-diene-7,12-dione

Drug info:

PubChemData

Smile

CCCCCCC(C)C1=C(C(=CC=C1)C(=O)O)C(=O)O.COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC

DOS

IR

Vibrations