Geometry & MOs

Info

ID:	73352
PubChem CID:	48417497
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	307.9709
ΔH_f, kcal/mol:	28.07
Dipole, Da:	4.68
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(3-bromo-5-fluorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OCCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations