Geometry & MOs

Info

ID:	238863
PubChem CID:	93165627
Reduced:	ClN2O2C16H25 (1)
Stoich.:	AB2C2D16E25 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-73.32
Dipole, Da:	4.04
IP(EA), eV:	-8.58(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(5-chloro-2-ethoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1[C@@H](CN)C2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations