Geometry & MOs

Info

ID:	20395
PubChem CID:	583709
Reduced:	N2O5H8C12 (1)
Stoich.:	A2B5C8D12 (1)
Weight, g/mol:	260.043321
ΔH_f, kcal/mol:	-166.96
Dipole, Da:	5.97
IP(EA), eV:	-10.61(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)C(=O)O

DOS

IR

Vibrations