Geometry & MOs

Info

ID:

438760

PubChem CID:

135228514

Reduced:

N2O2C29H34 (1)

Stoich.:

A2B2C29D34 (1)

Weight, g/mol:

548.336256

ΔHf, kcal/mol:

-13.64

Dipole, Da:

4.63

IP(EA), eV:

 -7.7(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 6-tert-butyl-10-methoxy-8-methyl-9-(2-methyl-6-piperazin-1-yl-2,3-dihydropyridin-3-yl)-2-oxo-6,7,7a,8-tetrahydrobenzo[a]quinolizine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations