Geometry & MOs

Info

ID:	121457
PubChem CID:	50768626
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	323.107005
ΔH_f, kcal/mol:	-28.7
Dipole, Da:	3.58
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyanilino)-8-fluoroquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2CCN(CC2)C3=NN=C(C=C3)SC4=CC=CC(=C4)OC

DOS

IR

Vibrations