Geometry & MOs

Info

ID:

438723

PubChem CID:

135228475

Reduced:

O3C17H18 (2)

Stoich.:

A3B17C18 (2)

Weight, g/mol:

491.203191

ΔHf, kcal/mol:

-155.57

Dipole, Da:

1.83

IP(EA), eV:

 -8.4(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 9-[(Z)-1-amino-3-(2,2,2-trifluoroethylimino)prop-1-en-2-yl]-10-methoxy-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OC)OCC4=CC=CC=C4

DOS

IR

Vibrations