Geometry & MOs

Info

ID:	238860
PubChem CID:	93165621
Reduced:	ON2C20H28 (1)
Stoich.:	AB2C20D28 (1)
Weight, g/mol:	312.160456
ΔH_f, kcal/mol:	-21.79
Dipole, Da:	2.87
IP(EA), eV:	-8.31(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-2-amino-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-chloro-6-methoxyphenol

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)[C@H](CN)N3CCC[C@@H](C3)C

DOS

IR

Vibrations