Geometry & MOs

Info

ID:	407550
PubChem CID:	135080297
Reduced:	ClNO2F3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	241.117489
ΔH_f, kcal/mol:	-164.21
Dipole, Da:	5.74
IP(EA), eV:	-10.81(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(carbamoylamino)-N,N,3,5-tetramethyl-2-oxidopyrazol-2-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CC(F)(F)F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations