Geometry & MOs

Info

ID:	284920
PubChem CID:	104083404
Reduced:	NO2C15H29 (1)
Stoich.:	AB2C15D29 (1)
Weight, g/mol:	267.004683
ΔH_f, kcal/mol:	-130.05
Dipole, Da:	2.18
IP(EA), eV:	-8.8(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(4-nitrophenyl)pyrazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)N1CCCC(CC1)CC

DOS

IR

Vibrations