Geometry & MOs

Info

ID:	327894
PubChem CID:	126691254
Reduced:	O3H18C20 (1)
Stoich.:	A3B18C20 (1)
Weight, g/mol:	300.102254
ΔH_f, kcal/mol:	-82.71
Dipole, Da:	2.11
IP(EA), eV:	-8.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)C1=CC2=C(C=C1)C3=C(C=C4C(=C3)CCCC4=O)OC2

DOS

IR

Vibrations