Geometry & MOs

Info

ID:	183152
PubChem CID:	76983842
Reduced:	FO2N5H10C11 (1)
Stoich.:	AB2C5D10E11 (1)
Weight, g/mol:	259.106925
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	4.1
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C(=NO)N)NC(=O)C2=CNN=C2

DOS

IR

Vibrations