Geometry & MOs

Info

ID:	399584
PubChem CID:	135041085
Reduced:	ClO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	280.04628
ΔH_f, kcal/mol:	-124.49
Dipole, Da:	3.89
IP(EA), eV:	-9.76(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z,4R,5S)-2-bromo-5-methyl-1-phenylhepta-1,6-dien-4-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)O1)C(=O)CCCCCl

DOS

IR

Vibrations