Geometry & MOs

Info

ID:	187549
PubChem CID:	77590027
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	451.05498
ΔH_f, kcal/mol:	-128.88
Dipole, Da:	3.44
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenoxy)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=CC=C1)C(C2CCCCN2)O.Cl

DOS

IR

Vibrations