Geometry & MOs

Info

ID:	374198
PubChem CID:	131325326
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	220.020354
ΔH_f, kcal/mol:	-79.25
Dipole, Da:	8.99
IP(EA), eV:	-9.73(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-8-fluoroquinolin-2-yl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1C#N)C(=O)O

DOS

IR

Vibrations