Geometry & MOs

Info

ID:

439088

PubChem CID:

135228851

Reduced:

NOC9H11 (3)

Stoich.:

ABC9D11 (3)

Weight, g/mol:

485.304228

ΔHf, kcal/mol:

-44.99

Dipole, Da:

7.04

IP(EA), eV:

 -8.69(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(3E,5E)-6-amino-6-(cyclobutylamino)hexa-1,3,5-trien-3-yl]-6-tert-butyl-10-ethyl-2-methylidene-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C/C=C(\C=N/C(=N)OC)/C1=C(C=C2C(=C1)CC(N3C2=CC(=O)C(=C3)C(=C)C)C(C)(C)C)OC

DOS

IR

Vibrations