Geometry & MOs

Info

ID:	378716
PubChem CID:	134224811
Reduced:	N9C32H63 (1)
Stoich.:	A9B32C63 (1)
Weight, g/mol:	187.011687
ΔH_f, kcal/mol:	-34.55
Dipole, Da:	3.15
IP(EA), eV:	-8.52(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,5-trihydroxy-6-oxo-1H-pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)N(C)CCCCCCN(C2CC(NC(C2)(C)C)(C)C)C3=NC(=NC(=N3)N(C)C)N(C)C)C

DOS

IR

Vibrations