Geometry & MOs

Info

ID:	341439
PubChem CID:	127264132
Reduced:	FON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	4.21
IP(EA), eV:	-9.26(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1)CC2=CC=CC=C2F

DOS

IR

Vibrations