Geometry & MOs

Info

ID:	69687
PubChem CID:	47205182
Reduced:	OS2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	278.143056
ΔH_f, kcal/mol:	47.42
Dipole, Da:	4.72
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)NCCNC2=C3C=CSC3=NC=N2

DOS

IR

Vibrations