Geometry & MOs

Info

ID:	193304
PubChem CID:	78373907
Reduced:	N2O3H6C7 (2)
Stoich.:	A2B3C6D7 (2)
Weight, g/mol:	470.203959
ΔH_f, kcal/mol:	-37.05
Dipole, Da:	4.64
IP(EA), eV:	-10.0(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-5H-pyrimidin-3-ium-5-yl]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC=CC2C(C(=O)NC(=O)N2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations