Geometry & MOs

Info

ID:

438865

PubChem CID:

135228623

Reduced:

N2O3C28H32 (1)

Stoich.:

A2B3C28D32 (1)

Weight, g/mol:

486.335862

ΔHf, kcal/mol:

-85.5

Dipole, Da:

7.41

IP(EA), eV:

 -8.97(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[9-[(Z)-1-amino-3-(1-methylpiperidin-4-yl)iminoprop-1-en-2-yl]-6-tert-butyl-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizin-3-yl]ethenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations