Geometry & MOs

Info

ID:	402752
PubChem CID:	135057137
Reduced:	FO3H9C11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	277.97648
ΔH_f, kcal/mol:	-127.61
Dipole, Da:	4.14
IP(EA), eV:	-9.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-[(E)-2-(3-methylphenyl)ethenyl]thiophene

Drug info:

PubChemData

Smile

C1=CC(=O)OC1[C@H](C2=CC=C(C=C2)F)O

DOS

IR

Vibrations