Geometry & MOs

Info

ID:	327094
PubChem CID:	126688987
Reduced:	NSO10C19H31 (1)
Stoich.:	ABC10D19E31 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-487.41
Dipole, Da:	4.93
IP(EA), eV:	-9.41(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,6-trimethylphenyl) 1,2,3,4-tetrahydropyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)N[C@@H](C(=O)O)C(C)(C)SC(=O)OCOC(=O)C(C)(C)C

DOS

IR

Vibrations