Geometry & MOs

Info

ID:	55480
PubChem CID:	17395443
Reduced:	OF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	-147.43
Dipole, Da:	4.72
IP(EA), eV:	-9.33(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations