Geometry & MOs

Info

ID:	395364
PubChem CID:	135025272
Reduced:	NOBr2H21C22 (1)
Stoich.:	ABC2D21E22 (1)
Weight, g/mol:	494.96678
ΔH_f, kcal/mol:	10.98
Dipole, Da:	3.48
IP(EA), eV:	-8.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-[(2-bromo-5-fluorophenyl)-morpholin-4-ylmethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(C2=CC=CC=C2Br)C3=C(C=CC4=C3C=CC(=C4)Br)O

DOS

IR

Vibrations