Geometry & MOs

Info

ID:	292618
PubChem CID:	117356016
Reduced:	ClFNO2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	241.041818
ΔH_f, kcal/mol:	-72.61
Dipole, Da:	2.63
IP(EA), eV:	-9.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-amino-2-methyl-1H-pyrazol-5-ylidene)-4-chloro-2-fluorocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1Cl)F)C2(CC2)N=C=O

DOS

IR

Vibrations