Geometry & MOs

Info

ID:	411331
PubChem CID:	135084154
Reduced:	BrOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	218.167065
ΔH_f, kcal/mol:	-6.4
Dipole, Da:	3.31
IP(EA), eV:	-9.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-methyl-8-phenyloct-5-en-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(C)C=O)Br

DOS

IR

Vibrations