Geometry & MOs

Info

ID:	277398
PubChem CID:	103828269
Reduced:	OSN3C16H19 (1)
Stoich.:	ABC3D16E19 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-6.0
Dipole, Da:	3.7
IP(EA), eV:	-8.48(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-methylsulfanylcyclopentyl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CSC1CCCC1NC(=O)C2=NC3=CC=CC=C3C(=C2)N

DOS

IR

Vibrations