Geometry & MOs

Info

ID:	195777
PubChem CID:	78732369
Reduced:	FNO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	421.191403
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	4.93
IP(EA), eV:	-9.33(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations