Geometry & MOs

Info

ID:	13939
PubChem CID:	400264
Reduced:	N3O4H13C18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	335.090606
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	2.6
IP(EA), eV:	-8.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,3-benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3=NC4=C(C=CC=N4)NC3=O

DOS

IR

Vibrations