Geometry & MOs

Info

ID:	73267
PubChem CID:	48417322
Reduced:	BrFO2N4H8C12 (1)
Stoich.:	ABC2D4E8F12 (1)
Weight, g/mol:	337.98147
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	1.53
IP(EA), eV:	-9.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[2-(4-bromo-2-fluorophenoxy)acetyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)Br)OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations