Geometry & MOs

Info

ID:	341438
PubChem CID:	127264131
Reduced:	ClON2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	0.28
Dipole, Da:	4.49
IP(EA), eV:	-8.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-fluorophenyl)methyl]-5-methyl-4H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=CC(=O)N(N1C)CC2=CC=CC=C2Cl

DOS

IR

Vibrations