Geometry & MOs

Info

ID:	295553
PubChem CID:	117533890
Reduced:	BrOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-39.1
Dipole, Da:	2.99
IP(EA), eV:	-9.58(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)bicyclo[2.2.2]octan-1-ol

Drug info:

PubChemData

Smile

C1CC2(CCC1(CC2)C3=CC=CC=C3Br)O

DOS

IR

Vibrations