Geometry & MOs

Info

ID:	11864
PubChem CID:	122079
Reduced:	N3O7C16H17 (1)
Stoich.:	A3B7C16D17 (1)
Weight, g/mol:	363.10665
ΔH_f, kcal/mol:	-262.72
Dipole, Da:	7.49
IP(EA), eV:	-8.96(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(2,3,4,5-tetrahydroxypentyl)-1H-pyrimido[4,5-b]quinoline-2,4,8-trione

Drug info:

PubChemData

Smile

C1=CC(=O)C=C2C1=CC3=C(N2CC(C(C(CO)O)O)O)NC(=O)NC3=O

DOS

IR

Vibrations