Geometry & MOs

Info

ID:	321268
PubChem CID:	126665639
Reduced:	O2F3N5H28C29 (1)
Stoich.:	A2B3C5D28E29 (1)
Weight, g/mol:	291.002239
ΔH_f, kcal/mol:	-108.48
Dipole, Da:	4.38
IP(EA), eV:	-9.1(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloropyridin-2-yl)-5-(trifluoromethyl)pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)(C5=CC=CC=N5)O

DOS

IR

Vibrations