Geometry & MOs

Info

ID:

433635

PubChem CID:

135173775

Reduced:

ON8C36H40 (1)

Stoich.:

AB8C36D40 (1)

Weight, g/mol:

593.326694

ΔHf, kcal/mol:

74.73

Dipole, Da:

7.26

IP(EA), eV:

 -8.07(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[[(6E)-6-[(Z)-2-ethenylbut-2-enylidene]-5-methylidenepyrimidin-4-yl]amino]-2-methylphenyl]-2-methylphenyl]-3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC2=NC=CC3=CC(=CN=C32)CN4CCCC4)C5=C(C(=CC=C5)NC(=O)C6=NC7=C(N6C)CCN(C7)C)C

DOS

IR

Vibrations