Geometry & MOs

Info

ID:	398095
PubChem CID:	135031742
Reduced:	NO7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	316.059172
ΔH_f, kcal/mol:	-235.91
Dipole, Da:	3.63
IP(EA), eV:	-9.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[bis(5-methylthiophen-2-yl)methyl]benzene-1,2-diol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(C(=C(O1)C(=O)OC)C(=O)OC)C=C

DOS

IR

Vibrations