Geometry & MOs

Info

ID:	55055
PubChem CID:	17389708
Reduced:	ClNO5C12H12 (1)
Stoich.:	ABC5D12E12 (1)
Weight, g/mol:	269.157978
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	7.98
IP(EA), eV:	-9.83(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-5-fluoro-1H-indole

Drug info:

PubChemData

Smile

CC(C1=CC2=C(O1)C=CC(=C2)Cl)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations