Geometry & MOs

Info

ID:	255151
PubChem CID:	103130379
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	238.030919
ΔH_f, kcal/mol:	-19.3
Dipole, Da:	5.32
IP(EA), eV:	-9.61(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-fluorophenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations