Geometry & MOs

Info

ID:	73157
PubChem CID:	48417112
Reduced:	BrO3N5H12C16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	248.050967
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	5.66
IP(EA), eV:	-9.29(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2,5-difluorobenzoyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=O)N(C2=O)CCCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations