Geometry & MOs

Info

ID:

440029

PubChem CID:

135229914

Reduced:

NOSH43C66 (1)

Stoich.:

ABCD43E66 (1)

Weight, g/mol:

487.195045

ΔHf, kcal/mol:

223.18

Dipole, Da:

1.79

IP(EA), eV:

 -7.99(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]-3-methylcyclohexa-1,5-dien-1-yl]methyl]morpholine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=C6C7=CC=CC=C7C8(C6=CC=C5)C9=C(C1=CC=CC=C1C=C9)OC1=C8C=CC2=CC=CC=C21)C1=CC2=C(C=C1)SC1=CC=CC=C12)C

DOS

IR

Vibrations