Geometry & MOs

Info

ID:

83942

PubChem CID:

49862732

Reduced:

N3O4H11C13 (1)

Stoich.:

A3B4C11D13 (1)

Weight, g/mol:

569.262061

ΔHf, kcal/mol:

15.36

Dipole, Da:

1.64

IP(EA), eV:

 -9.36(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(1S)-1'-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-5-chloro-6-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=C(O1)[N+](=O)[O-])/C2=CC=CC=C2

DOS

IR

Vibrations