Geometry & MOs

Info

ID:	321547
PubChem CID:	126666565
Reduced:	SO8C24H26 (1)
Stoich.:	AB8C24D26 (1)
Weight, g/mol:	270.128075
ΔH_f, kcal/mol:	-256.4
Dipole, Da:	1.87
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[(1S,3R)-3-fluorocyclopentyl]amino]quinoline-6-carbonitrile

Drug info:

PubChemData

Smile

CCCOC(=O)/C(=C/OC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(COC(=O)C=C)O)/O

DOS

IR

Vibrations