Geometry & MOs

Info

ID:

191230

PubChem CID:

78120924

Reduced:

OCl2N6C25H26 (1)

Stoich.:

AB2C6D25E26 (1)

Weight, g/mol:

450.201553

ΔHf, kcal/mol:

52.03

Dipole, Da:

8.09

IP(EA), eV:

 -8.59(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[[1-(6-methoxy-5-methylpyridin-3-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-7-yl]oxy]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)Cl)Cl)N2C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5CCCN5)C(=N2)C#N

DOS

IR

Vibrations