Geometry & MOs

Info

ID:

218803

PubChem CID:

85089999

Reduced:

NO4C33H37 (1)

Stoich.:

AB4C33D37 (1)

Weight, g/mol:

511.334815

ΔHf, kcal/mol:

5.71

Dipole, Da:

1.47

IP(EA), eV:

 -7.17(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-amino-2-oxo-3-propan-2-ylpyrrolidin-1-yl)-4-methyl-N-[1-(2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl)propyl]pentanamide;hydrochloride

Drug info:

PubChemData

Smile

COC12C=CC3(C4C1C(CC4)OCC5=CC=CC=C5)C6CC7=C8C3(C2OC8=C(C=C7)O)CCN6CC9CC9

DOS

IR

Vibrations