Geometry & MOs

Info

ID:

438851

PubChem CID:

135228609

Reduced:

NO7C29H31 (1)

Stoich.:

AB7C29D31 (1)

Weight, g/mol:

559.35224

ΔHf, kcal/mol:

-221.8

Dipole, Da:

2.71

IP(EA), eV:

 -8.74(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-butanoyl-6-tert-butyl-9-[2-[2-(ethylamino)ethyl-propylamino]pyrimidin-5-yl]-10-methoxy-6,7-dihydrobenzo[a]quinolizin-2-one

Drug info:

PubChemData

Smile

CN(C)C(=O)[C@@H]1[C@H](C2(C([C@@H]1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5

DOS

IR

Vibrations