Geometry & MOs

Info

ID:	135544
PubChem CID:	51889346
Reduced:	FON2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	259.137242
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752850
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-fluorophenyl)-2-[(3-methylphenyl)methylamino]ethanol

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations