Geometry & MOs

Info

ID:	248493
PubChem CID:	103082077
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	234.116841
ΔH_f, kcal/mol:	-122.35
Dipole, Da:	4.32
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[(3-methoxycyclopentyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)NC2CCC(C2)OC)C(=O)OC

DOS

IR

Vibrations