Geometry & MOs

Info

ID:

439784

PubChem CID:

135229604

Reduced:

NO2H35C57 (1)

Stoich.:

AB2C35D57 (1)

Weight, g/mol:

579.257645

ΔHf, kcal/mol:

185.09

Dipole, Da:

1.39

IP(EA), eV:

 -8.1(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]phenyl]-3-[(2R)-2-(pyrrolidin-1-ylmethyl)cyclopentyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC4=C(C=C3)OC5=CC=CC=C54)C6=CC=CC7=C6C8=CC=CC=C8C79C1=C(C2=CC=CC=C2C=C1)OC1=C9C=CC2=CC=CC=C21

DOS

IR

Vibrations