Geometry & MOs

Info

ID:	433029
PubChem CID:	135173166
Reduced:	IO2F3N3H7C12 (1)
Stoich.:	AB2C3D3E7F12 (1)
Weight, g/mol:	272.99199
ΔH_f, kcal/mol:	-69.65
Dipole, Da:	3.48
IP(EA), eV:	-9.86(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

Drug info:

PubChemData

Smile

C1C(ON=C1I)C2=CC=C(C=C2)C3=NOC(=N3)C(F)(F)F

DOS

IR

Vibrations