Geometry & MOs

Info

ID:

439799

PubChem CID:

135229620

Reduced:

NOH27C45 (1)

Stoich.:

ABC27D45 (1)

Weight, g/mol:

491.201193

ΔHf, kcal/mol:

162.97

Dipole, Da:

2.28

IP(EA), eV:

 -8.25(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-3-yl]pyrazol-1-yl]-N-ethyl-N-(2-methoxyethyl)ethanamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC4=C(C35C6=C(C=C(C=C6)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC=CC=C51)C=CC1=CC=CC=C14

DOS

IR

Vibrations