Geometry & MOs

Info

ID:	341437
PubChem CID:	127264130
Reduced:	OF2N2H10C11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	5.73
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-chlorophenyl)methyl]-1,5-dimethylpyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1C)C2=C(C=CC=C2F)F

DOS

IR

Vibrations