Geometry & MOs

Info

ID:	165170
PubChem CID:	74510536
Reduced:	N2O5C17H22 (1)
Stoich.:	A2B5C17D22 (1)
Weight, g/mol:	283.067859
ΔH_f, kcal/mol:	-193.8
Dipole, Da:	3.58
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3,8-trimethyl-6-nitro-4aH-pyrido[2,3-d]pyrimidin-1-ium-2,4,5,7-tetrone

Drug info:

PubChemData

Smile

CCCCNC(=O)NC(=O)COC(=O)C=CC1=CC(=CC=C1)OC

DOS

IR

Vibrations