Geometry & MOs

Info

ID:

91249

PubChem CID:

49974497

Reduced:

N5O6C35H41 (1)

Stoich.:

A5B6C35D41 (1)

Weight, g/mol:

591.305684

ΔHf, kcal/mol:

-200.19

Dipole, Da:

9.45

IP(EA), eV:

 -8.34(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C)OC

DOS

IR

Vibrations