Geometry & MOs

Info

ID:

442724

PubChem CID:

135255988

Reduced:

OH30C52 (2)

Stoich.:

AB30C52 (2)

Weight, g/mol:

391.186906

ΔHf, kcal/mol:

370.42

Dipole, Da:

2.6

IP(EA), eV:

 -8.27(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[6-(methoxymethyl)pyridin-2-yl]methylimino]ethanehydrazonoyl]-6-(3-methylpyrazin-2-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=CC(=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=CC(=C8)C9=CC1=CC=CC=C1C1=C9C=CC(=C1)C1=CC2=CC=CC=C2C2=C1OC1=C2C=C(C=C1)C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=CC=CC(=C1)C1=CC2=C(C=C1)C1=CC=CC=C1C1=CC=CC=C12

DOS

IR

Vibrations