Geometry & MOs

Info

ID:	307755
PubChem CID:	125308869
Reduced:	NO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	267.147058
ΔH_f, kcal/mol:	-258.14
Dipole, Da:	6.77
IP(EA), eV:	-8.95(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-5-methyl-3-[(3R)-6-methyl-2,4-dioxo-1H-pyridin-3-yl]hexanoate

Drug info:

PubChemData

Smile

CC1=CC(=O)[C@H](C(=O)N1)[C@H](CC(=O)OC)[C@@H]2CC=C(O2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations