Geometry & MOs

Info

ID:	419458
PubChem CID:	135108204
Reduced:	ON4C17H28 (1)
Stoich.:	AB4C17D28 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	3.65
IP(EA), eV:	-8.16(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-4-propyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1NCCC2(CCCC2)O)N3CCCC3)C

DOS

IR

Vibrations