Geometry & MOs

Info

ID:	293265
PubChem CID:	117380044
Reduced:	ClN2O2H11C12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	249.9441
ΔH_f, kcal/mol:	-30.14
Dipole, Da:	1.86
IP(EA), eV:	-9.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-2,5-difluoro-6-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCC(=O)O)N2C=C(C=N2)Cl

DOS

IR

Vibrations