Geometry & MOs

Info

ID:	321664
PubChem CID:	126666760
Reduced:	ON6H22C23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	300.102254
ΔH_f, kcal/mol:	79.15
Dipole, Da:	5.59
IP(EA), eV:	-9.38(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NC=C(N=C5)C

DOS

IR

Vibrations