Geometry & MOs

Info

ID:	129777
PubChem CID:	51073821
Reduced:	FNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	228.126263
ΔH_f, kcal/mol:	-116.38
Dipole, Da:	4.13
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-N-methyl-N-phenylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCSC1=CC=CC=C1F

DOS

IR

Vibrations