Geometry & MOs

Info

ID:

334213

PubChem CID:

127252765

Reduced:

NO7H23C29 (1)

Stoich.:

AB7C23D29 (1)

Weight, g/mol:

431.278407

ΔHf, kcal/mol:

-167.53

Dipole, Da:

3.78

IP(EA), eV:

 -8.75(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(3-methoxypropyl)urea

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C(CC(=O)O)C4=CC5=C(C=C4)N=CC=C5)OC

DOS

IR

Vibrations