Geometry & MOs

Info

ID:	308127
PubChem CID:	125317063
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	331.105587
ΔH_f, kcal/mol:	21.15
Dipole, Da:	6.65
IP(EA), eV:	-8.92(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R)-5-[(1S)-3-methoxy-3-oxo-1-phenylpropyl]-4,6-dioxo-1H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC3=NC4=CC=CC=C4N3C(=O)C2

DOS

IR

Vibrations