Geometry & MOs

Info

ID:

438989

PubChem CID:

135228750

Reduced:

N4O6C35H44 (1)

Stoich.:

A4B6C35D44 (1)

Weight, g/mol:

502.258006

ΔHf, kcal/mol:

-223.65

Dipole, Da:

8.06

IP(EA), eV:

 -8.7(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[2-(cyclobutylamino)pyrimidin-5-yl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)N5CCN(CC5)C(=O)OC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations