Geometry & MOs

Info

ID:	132168
PubChem CID:	51315165
Reduced:	FSN3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-2.39
Dipole, Da:	3.97
IP(EA), eV:	-9.26(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,5-dimethylpyrazole-4-carbonyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1=COC(=C1)C2=CC(=NO2)C(=O)NC3=NC=C(S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations