Geometry & MOs

Info

ID:	189957
PubChem CID:	77931992
Reduced:	FON5H28C29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	262.101665
ΔH_f, kcal/mol:	53.8
Dipole, Da:	5.45
IP(EA), eV:	-8.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-difluoro-5-methylphenyl)methoxy]butane-1,2,4-triol

Drug info:

PubChemData

Smile

C1CN(CC1O)CC2=C(C=C(C=C2)C3=CN4C(CN=C4N=C3)C5(CC5)C6=CC7=C(C=C6)N=CC=C7)F

DOS

IR

Vibrations