Geometry & MOs

Info

ID:

95580

PubChem CID:

50010491

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-179.07

Dipole, Da:

6.05

IP(EA), eV:

 -8.92(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations