Geometry & MOs

Info

ID:	34383
PubChem CID:	7891024
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-122.05
Dipole, Da:	1.55
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CC1)OC(=O)C2=C(C3=CC=CC=C3C=C2)O

DOS

IR

Vibrations