Geometry & MOs

Info

ID:

171651

PubChem CID:

75410372

Reduced:

N2F3O3C22H23 (1)

Stoich.:

A2B3C3D22E23 (1)

Weight, g/mol:

475.208276

ΔHf, kcal/mol:

-235.93

Dipole, Da:

5.71

IP(EA), eV:

 -9.02(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,11S)-12-(1-methylpiperidin-4-yl)-9-[[4-(trifluoromethoxy)phenyl]methyl]-2-oxa-9,12-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-10-one

Drug info:

PubChemData

Smile

CC(C)N1C[C@@H]2C[C@H]1C(=O)N(C3=CC=CC=C3O2)CC4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations