Geometry & MOs

Info

ID:	73138
PubChem CID:	48417064
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	287.081853
ΔH_f, kcal/mol:	-2.48
Dipole, Da:	7.6
IP(EA), eV:	-9.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-amino-4-cyanopyrazol-1-yl)-2-oxoethyl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations