Geometry & MOs

Info

ID:	293271
PubChem CID:	117380679
Reduced:	NSO4H9C11 (1)
Stoich.:	ABC4D9E11 (1)
Weight, g/mol:	251.107005
ΔH_f, kcal/mol:	-61.15
Dipole, Da:	2.92
IP(EA), eV:	-8.69(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

CSC1=C/C(=C\2/C=C(NO2)C(=O)O)/C(=O)C=C1

DOS

IR

Vibrations