Geometry & MOs

Info

ID:	292912
PubChem CID:	117363813
Reduced:	ClFO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	244.086622
ΔH_f, kcal/mol:	-147.45
Dipole, Da:	4.8
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3,6-dimethoxy-4-methylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)Cl)F)CCC(=O)O

DOS

IR

Vibrations