Geometry & MOs

Info

ID:	293140
PubChem CID:	117374890
Reduced:	ClON4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	248.06155
ΔH_f, kcal/mol:	15.48
Dipole, Da:	4.67
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)C3=C(NN=C3)N)Cl)NC1=O

DOS

IR

Vibrations