Geometry & MOs

Info

ID:

177547

PubChem CID:

76199433

Reduced:

N3O4C27H35 (1)

Stoich.:

A3B4C27D35 (1)

Weight, g/mol:

507.236936

ΔHf, kcal/mol:

-127.07

Dipole, Da:

3.37

IP(EA), eV:

 -9.28(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[8-(cyclopenten-1-yl)-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CC=CC=C3C)OC1CN(C)C(=O)CC4CC4)C(C)CO

DOS

IR

Vibrations