Geometry & MOs

Info

ID:	73379
PubChem CID:	48417566
Reduced:	O3N5H9C11 (1)
Stoich.:	A3B5C9D11 (1)
Weight, g/mol:	349.097503
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	6.17
IP(EA), eV:	-9.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=COC=C1C(=O)NCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations