Geometry & MOs

Info

ID:

439061

PubChem CID:

135228824

Reduced:

N4O4C29H34 (1)

Stoich.:

A4B4C29D34 (1)

Weight, g/mol:

454.22162

ΔHf, kcal/mol:

-111.38

Dipole, Da:

14.78

IP(EA), eV:

 -8.56(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-tert-butyl-9-[N'-(3-hydroxypropyliminomethyl)carbamimidoyl]-10-methoxy-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C4=CN=C(C=C4)N5CCN(CC5)C

DOS

IR

Vibrations