Geometry & MOs

Info

ID:	294629
PubChem CID:	117475527
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	293.95391
ΔH_f, kcal/mol:	-29.31
Dipole, Da:	2.22
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)-2-hydroxyacetate

Drug info:

PubChemData

Smile

C1CC(C1)(CN)C2=CC(=C(C=C2)CN3CCOCC3)Cl

DOS

IR

Vibrations