Geometry & MOs

Info

ID:	238810
PubChem CID:	93165541
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	308.209993
ΔH_f, kcal/mol:	-184.84
Dipole, Da:	2.69
IP(EA), eV:	-9.71(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-ethoxy-3-methoxyphenyl)ethanamine

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@@H](C1)C(=O)NC2CC2)C(=O)N3CCC[C@@H]3C(=O)O

DOS

IR

Vibrations