Geometry & MOs

Info

ID:	303980
PubChem CID:	124491125
Reduced:	NO2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-90.21
Dipole, Da:	2.51
IP(EA), eV:	-9.35(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-3-[(2S)-2-phenyloxiran-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)C(=C)C2=CC=CC=C2

DOS

IR

Vibrations