Geometry & MOs

Info

ID:

438916

PubChem CID:

135228677

Reduced:

O8C16H23 (2)

Stoich.:

A8B16C23 (2)

Weight, g/mol:

504.262422

ΔHf, kcal/mol:

-679.16

Dipole, Da:

4.89

IP(EA), eV:

 -8.65(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-(1-butyl-6-oxopyridin-3-yl)-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C[C@@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@@H](CC3=CC(=C(C=C3)O)OC)CO[C@H]4C([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

DOS

IR

Vibrations