Geometry & MOs

Info

ID:	427109
PubChem CID:	135155541
Reduced:	ClN2O3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	415.229348
ΔH_f, kcal/mol:	-75.24
Dipole, Da:	3.54
IP(EA), eV:	-8.39(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-N-(2-methylsulfanylethyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CC(CC3)OCC4=CC=CC=C4)C(=N2)Cl)OCCCN5CCCC5

DOS

IR

Vibrations