Geometry & MOs

Info

ID:	32724
PubChem CID:	7847367
Reduced:	NC10H14 (1)
Stoich.:	AB10C14 (1)
Weight, g/mol:	262.124332
ΔH_f, kcal/mol:	53.1
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.168505
Charge, e:	1

Chem-info

IUPAC name:

(4-fluorophenyl)methyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]azanium

Drug info:

PubChemData

Smile

C[NH2+]C/C=C/C1=CC=CC=C1

DOS

IR

Vibrations