Geometry & MOs

Info

ID:	395363
PubChem CID:	135025271
Reduced:	NOBr2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	474.99694
ΔH_f, kcal/mol:	18.97
Dipole, Da:	3.53
IP(EA), eV:	-8.61(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(C2=CC=CC=C2Br)C3=C(C=CC4=C3C=CC(=C4)Br)O

DOS

IR

Vibrations