Geometry & MOs

Info

ID:

185360

PubChem CID:

77289051

Reduced:

F3N4O9C45H45 (1)

Stoich.:

A3B4C9D45E45 (1)

Weight, g/mol:

728.321

ΔHf, kcal/mol:

-313.71

Dipole, Da:

4.61

IP(EA), eV:

 -8.89(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7-[4-[3-[(2-methoxyphenyl)methoxy]propoxy]phenyl]-3-(quinoxaline-2-carbonyl)-3,9-diazabicyclo[3.3.1]non-6-en-6-yl]methyl 2-(2-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)OCC2=C(CC3CN(CC2N3)C(=O)C4=NC5=CC=CC=C5N=C4)C6=CC=C(C=C6)OCCCOCC7=CC=CC=C7OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations