Geometry & MOs

Info

ID:

433695

PubChem CID:

135173835

Reduced:

ON7C37H37 (1)

Stoich.:

AB7C37D37 (1)

Weight, g/mol:

635.348492

ΔHf, kcal/mol:

140.97

Dipole, Da:

6.91

IP(EA), eV:

 -8.23(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-2-(pyrrolidin-1-ylmethyl)pyrido[3,4-b]pyrazin-5-amine

Drug info:

PubChemData

Smile

C/C=C(\C=C\1/C(=C)C(=NC=N1)NC2=CC=CC(=C2C)C3=C(C(=CC=C3)NC4=NC=CC5=CC(=CN=C54)CN6CCCC6)C)/C=O

DOS

IR

Vibrations