Geometry & MOs

Info

ID:	249648
PubChem CID:	103091117
Reduced:	OC7H10 (2)
Stoich.:	AB7C10 (2)
Weight, g/mol:	254.03063
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	2.92
IP(EA), eV:	-8.72(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-bromo-3-methylphenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations