Geometry & MOs

Info

ID:	28421
PubChem CID:	827470
Reduced:	INO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	279.066221
ΔH_f, kcal/mol:	-94.13
Dipole, Da:	1.64
IP(EA), eV:	-9.12(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N[C@H]1CC2=C(CCCC2)C[C@@H]1I

DOS

IR

Vibrations