Geometry & MOs

Info

ID:	81367
PubChem CID:	49854649
Reduced:	N2O7C19H20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	411.143035
ΔH_f, kcal/mol:	-236.73
Dipole, Da:	12.59
IP(EA), eV:	-9.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-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

COCCN1C(CN2C=C(C(=O)C(=O)C2=C1O)C(=O)O)COC3=CC=CC=C3

DOS

IR

Vibrations