Geometry & MOs

Info

ID:	169847
PubChem CID:	75156865
Reduced:	O2N7C35H49 (1)
Stoich.:	A2B7C35D49 (1)
Weight, g/mol:	311.090606
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	1.47
IP(EA), eV:	-8.54(0.11)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazine-1,4-diium-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C3NN=C(N3C4CCCCC4C2=O)CCC(=O)NCCCN5CCN(CC5)C6=C(C=CC(=C6)C)C

DOS

IR

Vibrations