Geometry & MOs

Info

ID:	224459
PubChem CID:	85343347
Reduced:	NO2C37H37 (1)
Stoich.:	AB2C37D37 (1)
Weight, g/mol:	527.7792
ΔH_f, kcal/mol:	40.29
Dipole, Da:	4.23
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4,5,6-tetrabromo-7,7-dimethoxy-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(CCO)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations