Geometry & MOs

Info

ID:	266014
PubChem CID:	103557599
Reduced:	BrSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	256.127486
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	3.63
IP(EA), eV:	-9.12(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluoro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethanol

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(CC2(CCC2)OC)O)Br

DOS

IR

Vibrations