Geometry & MOs

Info

ID:

439877

PubChem CID:

135229721

Reduced:

NO2H43C66 (1)

Stoich.:

AB2C43D66 (1)

Weight, g/mol:

483.183731

ΔHf, kcal/mol:

192.58

Dipole, Da:

1.98

IP(EA), eV:

 -7.91(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[5-[1-(2-chloro-3-fluoro-6-methylphenyl)ethyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]oxy]phenyl]morpholine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6O5)C7=CC8=C(C=C7)C9=CC=CC=C9C82C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations