Geometry & MOs

Info

ID:

433588

PubChem CID:

135173728

Reduced:

ClO2N4C27H31 (1)

Stoich.:

AB2C4D27E31 (1)

Weight, g/mol:

604.308123

ΔHf, kcal/mol:

-34.29

Dipole, Da:

6.43

IP(EA), eV:

 -8.34(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,3E)-5-N-[2-chloro-3-[2-methyl-3-[[3-(pyrrolidin-1-ylmethyl)-1,7-naphthyridin-8-yl]amino]phenyl]phenyl]-2-ethenyl-1-N-ethyl-4-methylhexa-1,3,5-triene-1,5-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=C(C(=CC=C2)NC(=O)C3=CC(=CN(C3=O)C)CN4CCCC4)Cl)N(C)C

DOS

IR

Vibrations