Geometry & MOs

Info

ID:

377930

PubChem CID:

134223996

Reduced:

ON3H29C40 (1)

Stoich.:

AB3C29D40 (1)

Weight, g/mol:

487.220617

ΔHf, kcal/mol:

162.59

Dipole, Da:

1.06

IP(EA), eV:

 -8.79(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC=C2C3=CC=CC(=N3)C4=CC=C(C=C4)C5=NC(=CC(=N5)C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations