Geometry & MOs

Info

ID:	183767
PubChem CID:	77067414
Reduced:	O4N5C11H12 (1)
Stoich.:	A4B5C11D12 (1)
Weight, g/mol:	239.07803
ΔH_f, kcal/mol:	-76.1
Dipole, Da:	4.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793907
Charge, e:	1

Chem-info

IUPAC name:

1-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-2-ium-6-ylidene)amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1C(=O)C2=NC(=NC2=[N+](C1=O)C)NC3(CC3)C(=O)O

DOS

IR

Vibrations