Geometry & MOs

Info

ID:	313207
PubChem CID:	126612586
Reduced:	ClNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	177.053826
ΔH_f, kcal/mol:	-106.98
Dipole, Da:	4.99
IP(EA), eV:	-9.04(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-7,8-dihydro-5H-pyrido[2,3-b]pyrazine-3-carbaldehyde

Drug info:

PubChemData

Smile

C[C@@H](C[C@H](CC1=CC=C(C=C1)O)NCl)C(=O)O

DOS

IR

Vibrations