Geometry & MOs

Info

ID:	338294
PubChem CID:	127258986
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	403.191421
ΔH_f, kcal/mol:	-125.87
Dipole, Da:	2.86
IP(EA), eV:	-9.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[phenyl(propoxy)methyl]piperidin-4-yl] 2-phenylacetate;hydrochloride

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@]1(C[C@H](C2)OC(=O)CC3=CC=CC=C3)O

DOS

IR

Vibrations