Geometry & MOs

Info

ID:	427120
PubChem CID:	135155586
Reduced:	ClO2N5C28H28 (1)
Stoich.:	AB2C5D28E28 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	9.17
Dipole, Da:	5.13
IP(EA), eV:	-9.5(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=N1)N)CC2=CC(=C(C=C2)Cl)C(=O)N3CC4=C(C3)N=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations