Geometry & MOs

Info

ID:	412979
PubChem CID:	135085919
Reduced:	FO5C6H11 (1)
Stoich.:	AB5C6D11 (1)
Weight, g/mol:	351.89597
ΔH_f, kcal/mol:	-281.95
Dipole, Da:	2.0
IP(EA), eV:	-10.53(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromophenyl)-4-iodobut-3-en-1-ol

Drug info:

PubChemData

Smile

C(C([C@@H]1C(C([C@@H](O1)O)O)O)F)O

DOS

IR

Vibrations