Geometry & MOs

Info

ID:

439040

PubChem CID:

135228803

Reduced:

ON4C33H42 (1)

Stoich.:

AB4C33D42 (1)

Weight, g/mol:

449.231456

ΔHf, kcal/mol:

36.51

Dipole, Da:

8.77

IP(EA), eV:

 -7.64(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(Z)-1-amino-3-cyclobutyliminoprop-1-en-2-yl]-6-tert-butyl-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C)C1CCN(CC1)C2N=CC(=CN2C)C3=CC4=C(C=C3)C5=CC(=C)C(=CN5C(C4)C(C)(C)C)C(=C)O

DOS

IR

Vibrations