Geometry & MOs

Info

ID:	285790
PubChem CID:	104132238
Reduced:	ClNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	1.78
IP(EA), eV:	-9.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-ethylpyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)Cl)C(=O)OCC2CC2

DOS

IR

Vibrations