Geometry & MOs

Info

ID:

223826

PubChem CID:

85335628

Reduced:

OC2H2 (14)

Stoich.:

AB2C2 (14)

Weight, g/mol:

588.233523

ΔHf, kcal/mol:

-534.88

Dipole, Da:

2.77

IP(EA), eV:

 -9.34(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(3-oxopiperazin-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2=CC3=CC4=C(C(=C3C(=C2C(=O)OC)C)O)C(=O)C5(C(=O)C=C(C(C5(C4=O)O)O)OC)O)O)O

DOS

IR

Vibrations