Geometry & MOs

Info

ID:	193175
PubChem CID:	78353277
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	452.145775
ΔH_f, kcal/mol:	-13.61
Dipole, Da:	6.26
IP(EA), eV:	-9.21(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(6-amino-1-benzyl-3-methyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NNC(=O)C1C(=C2C=CC=CC2=O)C3=C(NNC3=O)C

DOS

IR

Vibrations