Geometry & MOs

Info

ID:	272103
PubChem CID:	103724057
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-127.6
Dipole, Da:	5.31
IP(EA), eV:	-9.41(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-(5-methylthiophen-2-yl)-2-oxoethyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)CC2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations