Geometry & MOs

Info

ID:	188447
PubChem CID:	77719151
Reduced:	ION2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	503.151093
ΔH_f, kcal/mol:	20.46
Dipole, Da:	12.64
IP(EA), eV:	-8.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[[2-[[(2-hydroxy-3-phenoxypropyl)amino]methyl]-3,4-dihydro-2H-chromen-6-yl]oxy]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

C1CCC2C(C1)CCC(=C3C=C(C(=O)C4=C3C=CC=N4)I)N2

DOS

IR

Vibrations