Geometry & MOs

Info

ID:	159317
PubChem CID:	57269561
Reduced:	O3N8C23H30 (1)
Stoich.:	A3B8C23D30 (1)
Weight, g/mol:	406.12772
ΔH_f, kcal/mol:	-12.54
Dipole, Da:	5.98
IP(EA), eV:	-8.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[(3-carboxynaphthalen-2-yl)hydrazinylidene]-6-methyl-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CN2CCN(CC2)C3=CC=CC(=C3)NC4=C(C(=C(C=C4)C(=O)O)CCOC)N

DOS

IR

Vibrations