Geometry & MOs

Info

ID:	248482
PubChem CID:	103081978
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	252.107419
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	2.42
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[(3-methoxycyclopentyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1)NC2CCC(C2)OC)C#N

DOS

IR

Vibrations