Geometry & MOs

Info

ID:	294347
PubChem CID:	117453949
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	282.128966
ΔH_f, kcal/mol:	-72.43
Dipole, Da:	5.13
IP(EA), eV:	-9.31(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-3-(thian-3-yloxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)CC(C)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations