Geometry & MOs

Info

ID:	427121
PubChem CID:	135155589
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	557.250141
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	1.7
IP(EA), eV:	-7.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-methoxy-4-(2-phenylethylamino)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C(CCC3)C(=N2)NCCC4=CC=CC=C4)OCCCN5CCCC5

DOS

IR

Vibrations