Geometry & MOs

Info

ID:	248489
PubChem CID:	103082046
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-123.51
Dipole, Da:	8.21
IP(EA), eV:	-8.93(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=C(C=C1)NC2CCC(C2)OC

DOS

IR

Vibrations