Geometry & MOs

Info

ID:	157237
PubChem CID:	56422435
Reduced:	N2F3O3C20H21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-234.11
Dipole, Da:	8.15
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-piperidin-1-ylphenyl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)N3CCCCC3)OC(F)F

DOS

IR

Vibrations