Geometry & MOs

Info

ID:	59014
PubChem CID:	24770316
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	282.05229
ΔH_f, kcal/mol:	-4.24
Dipole, Da:	3.13
IP(EA), eV:	-9.33(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-phenylselanylethenyl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations