Geometry & MOs

Info

ID:	429778
PubChem CID:	135169830
Reduced:	ISO2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	280.062361
ΔH_f, kcal/mol:	76.83
Dipole, Da:	1.52
IP(EA), eV:	-8.82(-2.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoronaphthalen-1-yl)-5-(trifluoromethyl)pyrazole

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C(C=CN=C12)C3=CN=CC=C3)C4=CN(C5=C4C=C(C=N5)C(=O)N)SI

DOS

IR

Vibrations