Geometry & MOs

Info

ID:

329430

PubChem CID:

126736670

Reduced:

ClO10C29H41 (1)

Stoich.:

AB10C29D41 (1)

Weight, g/mol:

409.193233

ΔHf, kcal/mol:

-433.05

Dipole, Da:

7.32

IP(EA), eV:

 -9.62(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-chloro-5-fluorobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)OCC.CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl

DOS

IR

Vibrations