Geometry & MOs

Info

ID:	284459
PubChem CID:	104046725
Reduced:	FNOSC9H12 (1)
Stoich.:	ABCDE9F12 (1)
Weight, g/mol:	353.0182
ΔH_f, kcal/mol:	-55.79
Dipole, Da:	4.3
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(5-bromo-2-chlorophenyl)methylamino]phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCSCCOC1=C(N=CC=C1)F

DOS

IR

Vibrations