Geometry & MOs

Info

ID:	293340
PubChem CID:	117385018
Reduced:	BNO6C10H12 (1)
Stoich.:	ABC6D10E12 (1)
Weight, g/mol:	251.95975
ΔH_f, kcal/mol:	-286.6
Dipole, Da:	4.51
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2,3-difluoro-4-(2-hydroxyethyl)phenol

Drug info:

PubChemData

Smile

B(C1=C(C=CC2=C1OCO2)CC(C(=O)O)N)(O)O

DOS

IR

Vibrations