Geometry & MOs

Info

ID:	338787
PubChem CID:	127259798
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	329.199094
ΔH_f, kcal/mol:	-151.28
Dipole, Da:	1.52
IP(EA), eV:	-9.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-hydroxy-4-methylhex-2-ynyl)piperidin-4-yl] 2-phenylacetate

Drug info:

PubChemData

Smile

C1[C@H](NCC1CO)C(=O)OC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations