Geometry & MOs

Info

ID:

176348

PubChem CID:

76035937

Reduced:

NF4O4C27H31 (1)

Stoich.:

AB4C4D27E31 (1)

Weight, g/mol:

493.224007

ΔHf, kcal/mol:

-372.31

Dipole, Da:

3.92

IP(EA), eV:

 -9.83(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-fluoro-4-(trifluoromethyl)phenyl]-7,7-dimethyl-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-ol

Drug info:

PubChemData

Smile

CC(C)C1=C2C(OC3(C2=C4C(CC(C(C4=N1)O)(C)C)O)CCOCC3)C5=C(C=C(C=C5)C(F)(F)F)F

DOS

IR

Vibrations