Geometry & MOs

Info

ID:	183151
PubChem CID:	76983805
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	263.081853
ΔH_f, kcal/mol:	-52.6
Dipole, Da:	4.46
IP(EA), eV:	-9.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-2-(N'-hydroxycarbamimidoyl)phenyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C=CC(=O)O)NC(=O)C2=CNN=C2

DOS

IR

Vibrations