Geometry & MOs

Info

ID:	238772
PubChem CID:	93165473
Reduced:	ON2C19H32 (1)
Stoich.:	AB2C19D32 (1)
Weight, g/mol:	304.251464
ΔH_f, kcal/mol:	-56.26
Dipole, Da:	2.72
IP(EA), eV:	-8.32(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-butoxyphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethanamine

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC(=C1)[C@@H](CN)N2C[C@H](C[C@@H](C2)C)C

DOS

IR

Vibrations