Geometry & MOs

Info

ID:	34163
PubChem CID:	7890129
Reduced:	ClN3O4H14C15 (1)
Stoich.:	AB3C4D14E15 (1)
Weight, g/mol:	260.084872
ΔH_f, kcal/mol:	-62.61
Dipole, Da:	4.84
IP(EA), eV:	-9.51(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-(4-fluorophenyl)ethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations