Geometry & MOs

Info

ID:	295010
PubChem CID:	117511486
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	330.00153
ΔH_f, kcal/mol:	-154.97
Dipole, Da:	2.99
IP(EA), eV:	-9.16(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxylic acid;hydrobromide

Drug info:

PubChemData

Smile

CN1C(=O)CN(CC1=O)C2=CC=C(C=C2)C3(CCCCC3)C(=O)O

DOS

IR

Vibrations