Geometry & MOs

Info

ID:

334314

PubChem CID:

127252866

Reduced:

ClN2O6C27H27 (1)

Stoich.:

AB2C6D27E27 (1)

Weight, g/mol:

373.236542

ΔHf, kcal/mol:

-182.79

Dipole, Da:

7.92

IP(EA), eV:

 -8.81(-0.35)

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-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylurea

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations