Geometry & MOs

Info

ID:

107391

PubChem CID:

50201329

Reduced:

F3O4N5C29H36 (1)

Stoich.:

A3B4C5D29E36 (1)

Weight, g/mol:

584.241054

ΔHf, kcal/mol:

-313.29

Dipole, Da:

2.12

IP(EA), eV:

 -8.96(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations