Geometry & MOs

Info

ID:

163613

PubChem CID:

58097987

Reduced:

FN3O3H32C33 (1)

Stoich.:

AB3C3D32E33 (1)

Weight, g/mol:

445.18017

ΔHf, kcal/mol:

-50.04

Dipole, Da:

5.52

IP(EA), eV:

 -8.64(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(1R,2R)-2-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-3-methylidenecyclopropyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)CN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)CNC(=O)C5=CC6=C(C=C5)C7=CC=CC=C7C6=O

DOS

IR

Vibrations