Geometry & MOs

Info

ID:	400072
PubChem CID:	135045030
Reduced:	BrClNH11C14 (1)
Stoich.:	ABCD11E14 (1)
Weight, g/mol:	161.061861
ΔH_f, kcal/mol:	51.09
Dipole, Da:	1.53
IP(EA), eV:	-8.68(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-(18F)fluoranylphenyl)pyrazole

Drug info:

PubChemData

Smile

C=C(C1=CC(=CC=C1)Cl)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations