Geometry & MOs

Info

ID:	446851
PubChem CID:	135278210
Reduced:	ClON2C12H23 (1)
Stoich.:	ABC2D12E23 (1)
Weight, g/mol:	506.21441
ΔH_f, kcal/mol:	-66.43
Dipole, Da:	2.93
IP(EA), eV:	-8.31(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-10-bromo-9,10-dimethyl-2-[4-(2-piperazin-1-ylethoxy)phenoxy]dodeca-3,5,11-trien-6-ol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=C)N1CCN(CC1)CCCl

DOS

IR

Vibrations