Geometry & MOs

Info

ID:

440046

PubChem CID:

135229931

Reduced:

NO2H47C72 (1)

Stoich.:

AB2C47D72 (1)

Weight, g/mol:

488.190293

ΔHf, kcal/mol:

215.48

Dipole, Da:

1.73

IP(EA), eV:

 -7.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[(6-chloro-2,5-difluorocyclohexa-2,4-dien-1-yl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide

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=CC=CC(=C7)C8=CC9=C(C=C8)C2=CC=CC=C2C92C3=C(C4=CC=CC=C4C=C3)OC3=C2C=CC2=CC=CC=C23)C2=CC=CC=C21)C

DOS

IR

Vibrations