Geometry & MOs

Info

ID:

177548

PubChem CID:

76199434

Reduced:

N3O6C28H33 (1)

Stoich.:

A3B6C28D33 (1)

Weight, g/mol:

490.294391

ΔHf, kcal/mol:

-176.73

Dipole, Da:

5.21

IP(EA), eV:

 -9.04(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[cyclohexylmethyl(methyl)amino]methyl]-5-(1-hydroxypropan-2-yl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-8-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(N=CC(=C2)C3=CCCC3)OC1CN(C)C(=O)C4=CC5=C(C=C4)OCO5)C(C)CO

DOS

IR

Vibrations