Geometry & MOs

Info

ID:	427106
PubChem CID:	135155533
Reduced:	ClN2O2C19H23 (1)
Stoich.:	AB2C2D19E23 (1)
Weight, g/mol:	437.229012
ΔH_f, kcal/mol:	-49.36
Dipole, Da:	4.03
IP(EA), eV:	-8.6(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1)COC2=C(C=C3C4=C(CCC4)C(=NC3=C2)Cl)OC

DOS

IR

Vibrations