Geometry & MOs

Info

ID:	408186
PubChem CID:	135080946
Reduced:	BrOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	176.120115
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	2.22
IP(EA), eV:	-9.12(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-benzylidenepentan-2-ol

Drug info:

PubChemData

Smile

CC/C=C(/OC1=CC=CC(=C1)C)\Br

DOS

IR

Vibrations