Geometry & MOs

Info

ID:

95871

PubChem CID:

50016188

Reduced:

F3O4N5C32H40 (1)

Stoich.:

A3B4C5D32E40 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-316.75

Dipole, Da:

13.09

IP(EA), eV:

 -8.76(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations