Geometry & MOs

Info

ID:	37109
PubChem CID:	8016987
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	348.253869
ΔH_f, kcal/mol:	-100.45
Dipole, Da:	2.82
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cyclooctyl-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C[C@@H](COC2=C(C=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations