Geometry & MOs

Info

ID:

185359

PubChem CID:

77289050

Reduced:

O2F3N4H25C29 (1)

Stoich.:

A2B3C4D25E29 (1)

Weight, g/mol:

842.313864

ΔHf, kcal/mol:

-89.73

Dipole, Da:

3.28

IP(EA), eV:

 -8.9(-0.89)

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;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)(C(C1CN(C1)C2=C(C=CC=C2C3=NNC(=O)O3)CC4=CC=C(C=C4)C#N)C5=CC(=CC(=C5)F)F)F

DOS

IR

Vibrations