Geometry & MOs

Info

ID:

114358

PubChem CID:

50480374

Reduced:

F2O3N4C31H34 (1)

Stoich.:

A2B3C4D31E34 (1)

Weight, g/mol:

564.218426

ΔHf, kcal/mol:

-178.87

Dipole, Da:

9.72

IP(EA), eV:

 -8.86(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations