Geometry & MOs

Info

ID:	413799
PubChem CID:	135086749
Reduced:	ClN4H5C6 (1)
Stoich.:	AB4C5D6 (1)
Weight, g/mol:	208.040341
ΔH_f, kcal/mol:	87.46
Dipole, Da:	2.1
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[(3-chlorophenyl)methylidene]-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

[C-]#[N+]C1=NC(=CN=C1N)CCl

DOS

IR

Vibrations