Geometry & MOs

Info

ID:	224261
PubChem CID:	85340886
Reduced:	BrO4C9H9 (1)
Stoich.:	AB4C9D9 (1)
Weight, g/mol:	259.98368
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	2.59
IP(EA), eV:	-10.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromohept-3-en-1,5-diynyl)phenol

Drug info:

PubChemData

Smile

CC(=O)OC1CC2C(=CC1C(=O)O2)Br

DOS

IR

Vibrations