Geometry & MOs

Info

ID:

326036

PubChem CID:

126686156

Reduced:

ClN4O5C21H25 (1)

Stoich.:

AB4C5D21E25 (1)

Weight, g/mol:

420.120047

ΔHf, kcal/mol:

-199.14

Dipole, Da:

4.07

IP(EA), eV:

 -8.76(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrido[3,2-d][1]benzazepin-3-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CCNCC1=CC2=CC3=C(C=C2N1C)NCCCC4=C3NC(=O)C(=C4O)OC(=O)O.Cl

DOS

IR

Vibrations