Geometry & MOs

Info

ID:	248494
PubChem CID:	103082102
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	250.087291
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	6.63
IP(EA), eV:	-8.93(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(3-methoxycyclopentyl)amino]benzonitrile

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=C(C(=CC=C2)F)C#N

DOS

IR

Vibrations