Geometry & MOs

Info

ID:

181574

PubChem CID:

76761733

Reduced:

Cl2N3O6H35C42 (1)

Stoich.:

A2B3C6D35E42 (1)

Weight, g/mol:

397.236542

ΔHf, kcal/mol:

-111.94

Dipole, Da:

2.64

IP(EA), eV:

 -8.12(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-cyclopentyl-7-methoxy-3-phenyl-4a,5,6,6a,7,8,9,10,10a,10b-decahydropyrimido[5,4-c]quinoline-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)C2=CC=C(C=C2)C#N)NC(=O)C3CC4=CC5=C(C=C4NC3)OC(CO5)C6=CC=C(C=C6)OCC7=CC(=C(C=C7)Cl)Cl

DOS

IR

Vibrations