Geometry & MOs

Info

ID:	293239
PubChem CID:	117378223
Reduced:	BrNF2C9H10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	250.045293
ΔH_f, kcal/mol:	-69.13
Dipole, Da:	3.8
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxy-2-(2,3,6-trifluoro-5-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

CNCCC1=C(C(=C(C=C1)Br)F)F

DOS

IR

Vibrations