Geometry & MOs

Info

ID:	167314
PubChem CID:	74807461
Reduced:	N2O4C27H34 (1)
Stoich.:	A2B4C27D34 (1)
Weight, g/mol:	221.03108
ΔH_f, kcal/mol:	-125.67
Dipole, Da:	0.69
IP(EA), eV:	-8.63(0.14)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-amino-4,7-dioxo-1,6-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)CN2C3CCN(CC3CCC2=O)C4CC5=CC=CC=C5C4

DOS

IR

Vibrations