Geometry & MOs

Info

ID:	28154
PubChem CID:	825903
Reduced:	NOH13C14 (1)
Stoich.:	ABC13D14 (1)
Weight, g/mol:	296.188863
ΔH_f, kcal/mol:	22.66
Dipole, Da:	5.01
IP(EA), eV:	-8.37(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-1H-indol-3-yl]ethanol

Drug info:

PubChemData

Smile

CN1[C@H]2C=CC=C[C@@H]2C(=O)C3=CC=CC=C31

DOS

IR

Vibrations