Geometry & MOs

Info

ID:	294042
PubChem CID:	117424538
Reduced:	ON4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	51.93
Dipole, Da:	4.53
IP(EA), eV:	-8.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-methoxy-3-(thiolan-3-yloxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCOC1=C2C(=C(C=C1)C3=NN(C(=C3)N)C)C=CC=N2

DOS

IR

Vibrations