Geometry & MOs

Info

ID:	326026
PubChem CID:	126686084
Reduced:	ClN4O5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	436.151348
ΔH_f, kcal/mol:	-183.48
Dipole, Da:	10.54
IP(EA), eV:	-8.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-[3-(dimethylamino)pyrrolidin-1-yl]-4-hydroxy-2-oxo-1,5,6,7-tetrahydropyrido[3,2-d][1]benzazepin-3-yl] hydrogen carbonate;hydrochloride

Drug info:

PubChemData

Smile

CNCC1=CC2=CC3=C(C=C2N1C)NCCCC4=C3NC(=O)C(=C4O)OC(=O)O.Cl

DOS

IR

Vibrations