Geometry & MOs

Info

ID:

164207

PubChem CID:

74382288

Reduced:

NOC8H9 (4)

Stoich.:

ABC8D9 (4)

Weight, g/mol:

540.29234

ΔHf, kcal/mol:

-55.67

Dipole, Da:

8.75

IP(EA), eV:

 -9.07(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-4,4,4-trifluoro-3-[4-[[2-hydroxy-2-(8-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]piperidin-1-yl]butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NCC(C2=CC=C(C3=NC(=O)C=CC23)O)O)CCC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations