Geometry & MOs

Info

ID:	146840
PubChem CID:	53757492
Reduced:	PO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	411.256215
ΔH_f, kcal/mol:	-118.54
Dipole, Da:	17.82
IP(EA), eV:	-7.14(-2.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-6-phenyl-2-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)[P+](=O)OC2=CC(=CC=C2)O[P+](=O)C3=CC=CC(=C3CC)CC)CC

DOS

IR

Vibrations