Geometry & MOs

Info

ID:	180949
PubChem CID:	76709548
Reduced:	Cl2S2F3O3N4H23C32 (1)
Stoich.:	A2B2C3D3E4F23G32 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-127.29
Dipole, Da:	3.69
IP(EA), eV:	-8.83(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-[2-(4-methylphenyl)ethenyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(C=C2)C=CC3=NC(=CN3CC4=CC=C(C=C4)C5NS(=O)(=O)NS5=O)C6=C(C=C(C=C6)Cl)Cl

DOS

IR

Vibrations