Geometry & MOs

Info

ID:	38364
PubChem CID:	8032779
Reduced:	NO3C18H26 (1)
Stoich.:	AB3C18D26 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-100.97
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.232187
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1CCC[NH+](C1)C/C=C/C2=CC=CC=C2OC

DOS

IR

Vibrations