Geometry & MOs

Info

ID:	129779
PubChem CID:	51073825
Reduced:	FNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	273.06689
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	2.55
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-cyanophenyl)-1-cyanocyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)CCSC1=CC=CC=C1F

DOS

IR

Vibrations