Geometry & MOs

Info

ID:

93222

PubChem CID:

49992584

Reduced:

O3N4C32H44 (1)

Stoich.:

A3B4C32D44 (1)

Weight, g/mol:

548.29987

ΔHf, kcal/mol:

-139.58

Dipole, Da:

5.68

IP(EA), eV:

 -8.58(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations