Geometry & MOs

Info

ID:

326013

PubChem CID:

126686033

Reduced:

F3N3O7H20C22 (1)

Stoich.:

A3B3C7D20E22 (1)

Weight, g/mol:

422.135698

ΔHf, kcal/mol:

-376.27

Dipole, Da:

6.21

IP(EA), eV:

 -8.77(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C3=C(C1OC(=O)C(F)(F)F)C=C(C=C3)N4C[C@@H]5[C@H](C4)C5N)NC(=O)C(=C2O)OC(=O)O

DOS

IR

Vibrations