Geometry & MOs

Info

ID:	198034
PubChem CID:	79034320
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	48.44
Dipole, Da:	3.62
IP(EA), eV:	-9.0(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CCNC2=NC(=NS2)C

DOS

IR

Vibrations