Geometry & MOs

Info

ID:

438854

PubChem CID:

135228612

Reduced:

O4N5C31H39 (1)

Stoich.:

A4B5C31D39 (1)

Weight, g/mol:

449.267842

ΔHf, kcal/mol:

-104.29

Dipole, Da:

10.33

IP(EA), eV:

 -8.63(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[9-[(Z)-1-amino-3-(2-hydroxypropylimino)prop-1-en-2-yl]-6-tert-butyl-10-methoxy-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=N2)C3=C(C=C4C(=C3)CC(N5C4=CC(=O)C(=C5)C(=O)OCC)C(C)(C)C)OC

DOS

IR

Vibrations