Geometry & MOs

Info

ID:	441682
PubChem CID:	135240344
Reduced:	FSO4N7C31H38 (1)
Stoich.:	ABC4D7E31F38 (1)
Weight, g/mol:	229.167794
ΔH_f, kcal/mol:	-114.47
Dipole, Da:	8.97
IP(EA), eV:	-8.4(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-(hydroxymethyl)-2-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](N1C)C)[C@H](COC)C(=O)NC2=CC=CC3=C2NC=C3C4=NC(=NC=C4C)NC5=C(C(=CC=C5)S(=O)(=O)C)F

DOS

IR

Vibrations