Geometry & MOs

Info

ID:

91655

PubChem CID:

49978016

Reduced:

NOC6H7 (6)

Stoich.:

ABC6D7 (6)

Weight, g/mol:

660.363533

ΔHf, kcal/mol:

-192.78

Dipole, Da:

7.76

IP(EA), eV:

 -8.66(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations