Geometry & MOs

Info

ID:

190774

PubChem CID:

78054877

Reduced:

IPN5O7C17H19 (1)

Stoich.:

ABC5D7E17F19 (1)

Weight, g/mol:

660.298156

ΔHf, kcal/mol:

-259.72

Dipole, Da:

3.63

IP(EA), eV:

 -9.12(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-azabicyclo[2.2.2]octan-3-yl N-[[3-[6-[[2-hydroxy-2-(8-hydroxy-2-oxo-4aH-quinolin-5-yl)ethyl]amino]hexoxy]phenyl]-thiophen-2-ylmethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)I)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O

DOS

IR

Vibrations