Geometry & MOs

Info

ID:	413801
PubChem CID:	135086751
Reduced:	ClON2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	164.058578
ΔH_f, kcal/mol:	5.85
Dipole, Da:	3.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060381
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(furan-2-ylmethylidene)-3,4-dihydropyrazol-2-ium-5-olate

Drug info:

PubChemData

Smile

C1C/[N+](=C/C2=CC(=CC=C2)Cl)/NC1=O

DOS

IR

Vibrations