Geometry & MOs

Info

ID:	127733
PubChem CID:	51013159
Reduced:	OC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	385.10413
ΔH_f, kcal/mol:	16.55
Dipole, Da:	2.66
IP(EA), eV:	-9.1(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-2-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethanol

Drug info:

PubChemData

Smile

C1C=C[C@@H]([C@@H]2C[C@H]1C=CC=C2)O

DOS

IR

Vibrations