Geometry & MOs

Info

ID:	37369
PubChem CID:	8020259
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	355.191421
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	2.63
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)OCC(=O)NC2=CC=CC=C2C#N

DOS

IR

Vibrations