Geometry & MOs

Info

ID:	157649
PubChem CID:	56436296
Reduced:	FSN3O4H18C21 (1)
Stoich.:	ABC3D4E18F21 (1)
Weight, g/mol:	440.242356
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	5.94
IP(EA), eV:	-8.94(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[[1-[4-oxo-4-(4-propoxyphenyl)butanoyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(C#N)NC(=O)C2=CSC(=N2)C3=CC=CC=C3F

DOS

IR

Vibrations