Geometry & MOs

Info

ID:

186207

PubChem CID:

77405000

Reduced:

FNO4C25H26 (1)

Stoich.:

ABC4D25E26 (1)

Weight, g/mol:

487.272259

ΔHf, kcal/mol:

-182.8

Dipole, Da:

8.46

IP(EA), eV:

 -9.24(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-methyl-1-(8-methyl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),9,11-trien-10-yl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C(=C1C(C(=O)O)OC(C)(C)C)C3=CC(=CC(=C3)F)C(=O)NC

DOS

IR

Vibrations