Geometry & MOs

Info

ID:	395361
PubChem CID:	135025269
Reduced:	NO7C35H37 (1)
Stoich.:	AB7C35D37 (1)
Weight, g/mol:	395.08848
ΔH_f, kcal/mol:	-199.62
Dipole, Da:	2.21
IP(EA), eV:	-9.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-bromophenyl)-piperidin-1-ylmethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@]2([C@@H]([C@@H]([C@H]([C@H]2OCC3=CC=CC=C3)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)O)O

DOS

IR

Vibrations