Geometry & MOs

Info

ID:	131446
PubChem CID:	51206270
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	27.02
Dipole, Da:	3.72
IP(EA), eV:	-8.74(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxoethyl]-1-(4-fluorophenyl)-N-methylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)NC(=O)CC2=CSC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations