Geometry & MOs

Info

ID:	191469
PubChem CID:	78149818
Reduced:	ClNO2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	251.090606
ΔH_f, kcal/mol:	-100.32
Dipole, Da:	2.48
IP(EA), eV:	-9.82(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-5-[(4-oxo-1,3-diazinan-2-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(C=C1)C=CC(=O)O.Cl

DOS

IR

Vibrations