Geometry & MOs

Info

ID:	293962
PubChem CID:	117420310
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	266.097666
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	3.55
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-methoxy-2-(thietan-3-yloxy)phenyl]methyl]cyclopropan-1-ol

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=C(C=C1)C2CCSCC2)O

DOS

IR

Vibrations