Geometry & MOs

Info

ID:	155703
PubChem CID:	56367026
Reduced:	FN3O3C19H22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	423.070987
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	6.82
IP(EA), eV:	-9.53(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=NOC(=C2)C3=CC=CC=C3F

DOS

IR

Vibrations