Geometry & MOs

Info

ID:	294571
PubChem CID:	117471136
Reduced:	ClFNO4C12H15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-198.57
Dipole, Da:	4.03
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(CCC(=O)O)N)F)Cl)OC

DOS

IR

Vibrations