Geometry & MOs

Info

ID:	446432
PubChem CID:	135274930
Reduced:	ON4F6H20C23 (1)
Stoich.:	AB4C6D20E23 (1)
Weight, g/mol:	268.041483
ΔH_f, kcal/mol:	-257.5
Dipole, Da:	3.84
IP(EA), eV:	-9.4(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-chloro-2-methylpyrazol-3-yl)-2-fluorobenzoate

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=CC(=C(C(=C2)F)C(=O)N[C@@H]3CNCC[C@H]3C4=CC(=C(C=C4)F)F)C(F)(F)F

DOS

IR

Vibrations