Geometry & MOs

Info

ID:

188510

PubChem CID:

77726267

Reduced:

N2F4O5H30C33 (1)

Stoich.:

A2B4C5D30E33 (1)

Weight, g/mol:

515.255084

ΔHf, kcal/mol:

-319.09

Dipole, Da:

4.25

IP(EA), eV:

 -9.12(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[1-[1-(hydroxymethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1=C(N=C(O1)C2=CC=C(C=C2)F)COC3=CC=C(C=C3)CC(C(=O)O)NC(=CC(=O)C4=CC=C(C=C4)C(F)(F)F)CC

DOS

IR

Vibrations