Geometry & MOs

Info

ID:	249659
PubChem CID:	103091183
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	273.97601
ΔH_f, kcal/mol:	-76.43
Dipole, Da:	1.97
IP(EA), eV:	-9.43(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-bromo-5-chlorophenyl)-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CC(C(=CC1CCCCCC1)C)O

DOS

IR

Vibrations