Geometry & MOs

Info

ID:

177566

PubChem CID:

76199573

Reduced:

N3O5C26H37 (1)

Stoich.:

A3B5C26D37 (1)

Weight, g/mol:

489.237604

ΔHf, kcal/mol:

-165.96

Dipole, Da:

5.03

IP(EA), eV:

 -9.33(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C#CCOC)OC1CN(C)C(=O)C3CCCCC3)C(C)CO

DOS

IR

Vibrations