Geometry & MOs

Info

ID:	319199
PubChem CID:	126655292
Reduced:	FO3N5H24C25 (1)
Stoich.:	AB3C5D24E25 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-72.18
Dipole, Da:	7.59
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzylpyrazol-3-yl)piperidin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)C2=CC(=NC3=C2C(=O)N(C3)C(=O)OC(C)(C)C)C4=C(C=CC=C4F)C#N

DOS

IR

Vibrations