Geometry & MOs

Info

ID:

106848

PubChem CID:

50178797

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

544.266125

ΔHf, kcal/mol:

-192.81

Dipole, Da:

4.82

IP(EA), eV:

 -8.85(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations