Geometry & MOs

Info

ID:	191470
PubChem CID:	78149819
Reduced:	N3O4C11H13 (1)
Stoich.:	A3B4C11D13 (1)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-144.0
Dipole, Da:	2.71
IP(EA), eV:	-9.03(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)amino]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

C1CNC(NC1=O)NC2=CC(=C(C=C2)O)C(=O)O

DOS

IR

Vibrations