Geometry & MOs

Info

ID:	292890
PubChem CID:	117362464
Reduced:	FSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	244.127486
ΔH_f, kcal/mol:	-157.03
Dipole, Da:	4.98
IP(EA), eV:	-9.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,1-difluoroethyl)-2-methoxy-6-methylphenyl]propan-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1SC)F)CCC(=O)O

DOS

IR

Vibrations