Geometry & MOs

Info

ID:	305959
PubChem CID:	124976047
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	5.82
IP(EA), eV:	-8.86(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-1-(1-ethylpyrazole-3-carbonyl)piperidin-3-yl]-N-methyl-N-phenyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@]2(CCN(C1)C(=O)C3=CC4=C(N3)C(=CC=C4)F)CN(C(=O)CO2)C5=CC=CC=C5

DOS

IR

Vibrations