Geometry & MOs

Info

ID:

439162

PubChem CID:

135228927

Reduced:

O5N8H22C27 (1)

Stoich.:

A5B8C22D27 (1)

Weight, g/mol:

517.294057

ΔHf, kcal/mol:

-28.17

Dipole, Da:

10.49

IP(EA), eV:

 -8.95(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-9-[6-(cyclopropylmethylamino)-5-methylpyridin-3-yl]-10-methoxy-2-oxo-6,7,11,11a-tetrahydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=CN=C2NC1=O)OC3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC(=O)NN5C6=CN=C(C=C6)OC

DOS

IR

Vibrations