Geometry & MOs

Info

ID:	37371
PubChem CID:	8020288
Reduced:	ClO4H15C16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	356.199247
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	4.31
IP(EA), eV:	-9.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-3-[2-(4-chlorophenoxy)ethoxy]-2-hydroxypropyl]-[(1R,2S,3S)-2,3-dimethylcyclohexyl]azanium

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H]1C(=O)OCC2=CC(=O)OC3=C2C=C(C(=C3)C)Cl

DOS

IR

Vibrations