Geometry & MOs

Info

ID:	248479
PubChem CID:	103081963
Reduced:	ClON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	294.03678
ΔH_f, kcal/mol:	-22.13
Dipole, Da:	3.29
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1CCC(C1)NC2=NC=NC=C2Cl

DOS

IR

Vibrations