Geometry & MOs

Info

ID:	187085
PubChem CID:	77529923
Reduced:	FSN2O3C21H21 (1)
Stoich.:	ABC2D3E21F21 (1)
Weight, g/mol:	243.102607
ΔH_f, kcal/mol:	-103.13
Dipole, Da:	1.94
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-5-(4-chloro-2-methylphenoxy)pentan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=O)C2C(C(N1)C3=CC=C(C=C3)F)SNC2C4=CC=CC=C4

DOS

IR

Vibrations