Geometry & MOs

Info

ID:	140805
PubChem CID:	52764364
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	432.262422
ΔH_f, kcal/mol:	-154.79
Dipole, Da:	4.83
IP(EA), eV:	-8.99(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[(3-methoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]carbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN(C[C@H]2CCCO2)C(=O)/C=C/C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations