Geometry & MOs

Info

ID:	81280
PubChem CID:	49854544
Reduced:	N2O6H24C25 (1)
Stoich.:	A2B6C24D25 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-162.24
Dipole, Da:	12.05
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-4-(1H-indol-3-ylmethyl)-2-(2-methoxyethyl)-8,9-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid

Drug info:

PubChemData

Smile

COCCN1CCN2C=C(C(=O)C(=O)C2=C1O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations