Geometry & MOs

Info

ID:	73266
PubChem CID:	48417316
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	337.98147
ΔH_f, kcal/mol:	9.34
Dipole, Da:	0.76
IP(EA), eV:	-8.67(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations