Geometry & MOs

Info

ID:

186371

PubChem CID:

77425546

Reduced:

FN3O3C37H46 (1)

Stoich.:

AB3C3D37E46 (1)

Weight, g/mol:

583.32102

ΔHf, kcal/mol:

-147.32

Dipole, Da:

3.02

IP(EA), eV:

 -8.69(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[3-(1-hydroxycyclopentyl)phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)F)C(=O)N2CCCC(C2C3=CC=C(C=C3)CN4CCCC4COC)C(=O)NC5=CC=CC(=C5)C(C)(C)C

DOS

IR

Vibrations