Geometry & MOs

Info

ID:

427127

PubChem CID:

135155595

Reduced:

O2F3N6C34H39 (1)

Stoich.:

A2B3C6D34E39 (1)

Weight, g/mol:

455.242021

ΔHf, kcal/mol:

-159.63

Dipole, Da:

8.84

IP(EA), eV:

 -9.52(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-methoxy-4-[[(3R)-oxolan-3-yl]amino]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate

Drug info:

PubChemData

Smile

C[C@@H](CCCN1C(=O)[C@@](N=C1N)(CCC(C)C)C2=CC=CC=C2)CC3=CC(=C(C=C3)C(F)(F)F)C(=O)N4CC5=NC=CN=C5C4

DOS

IR

Vibrations