Geometry & MOs

Info

ID:	157133
PubChem CID:	56422173
Reduced:	ClFON4C22H26 (1)
Stoich.:	ABCD4E22F26 (1)
Weight, g/mol:	409.155018
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	3.93
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1-(4-nitrophenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)F)NC(=O)C3CCN(CC3)C4=NC=C(C=C4)Cl

DOS

IR

Vibrations