Geometry & MOs

Info

ID:	427436
PubChem CID:	135158934
Reduced:	ON5C26H29 (1)
Stoich.:	AB5C26D29 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	87.16
Dipole, Da:	3.76
IP(EA), eV:	-8.44(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,6S)-2-ethynyl-6-methyl-4-oxopiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2C/C=C(\C=C(/C(=N1)C2)\C3CC3)/C4=CC(=O)N5C=C(C=CC5=N4)N6CCNCC6

DOS

IR

Vibrations