Geometry & MOs

Info

ID:	249672
PubChem CID:	103091237
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	363.94966
ΔH_f, kcal/mol:	-114.67
Dipole, Da:	3.04
IP(EA), eV:	-8.49(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(3,5-dibromo-4-ethoxyphenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2O1)/C=C(/C)\C(C)O)OC

DOS

IR

Vibrations