Geometry & MOs

Info

ID:	293508
PubChem CID:	117392067
Reduced:	ClFNO2H11C12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	255.057468
ΔH_f, kcal/mol:	-75.99
Dipole, Da:	4.84
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloro-3-fluoro-2-methoxyphenyl)-2-methylpyrazol-3-amine

Drug info:

PubChemData

Smile

COCC1=CC(=C(C(=C1)Cl)F)C2(CC2)N=C=O

DOS

IR

Vibrations