Geometry & MOs

Info

ID:	372966
PubChem CID:	131307637
Reduced:	SN3O3C7H15 (1)
Stoich.:	AB3C3D7E15 (1)
Weight, g/mol:	217.090292
ΔH_f, kcal/mol:	-136.06
Dipole, Da:	0.83
IP(EA), eV:	-9.68(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorobenzoyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CC(NC(=O)N1)CCN

DOS

IR

Vibrations