Geometry & MOs

Info

ID:	341909
PubChem CID:	127264602
Reduced:	BN2F3O3C13H14 (1)
Stoich.:	AB2C3D3E13F14 (1)
Weight, g/mol:	245.97926
ΔH_f, kcal/mol:	-311.94
Dipole, Da:	6.37
IP(EA), eV:	-9.36(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-5H-pyrido[4,3-b]indole

Drug info:

PubChemData

Smile

B(C1=C(C=CC2=C1C=NN2C3CCCCO3)C(F)(F)F)(O)O

DOS

IR

Vibrations