Geometry & MOs

Info

ID:

433565

PubChem CID:

135173705

Reduced:

O3N4C22H24 (1)

Stoich.:

A3B4C22D24 (1)

Weight, g/mol:

665.384209

ΔHf, kcal/mol:

9.06

Dipole, Da:

6.36

IP(EA), eV:

 -8.88(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[6-[1-[2-methyl-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]anilino]ethenyl]-5-[(Z)-prop-1-enyl]pyridin-3-yl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COCCOCCN1C=C(C(=N1)C2=CC=NC=C2)C3=CC4=C(C=C3)/C(=N/O)/CC4

DOS

IR

Vibrations