Geometry & MOs

Info

ID:

444266

PubChem CID:

135261922

Reduced:

O2N6H26C29 (1)

Stoich.:

A2B6C26D29 (1)

Weight, g/mol:

649.245786

ΔHf, kcal/mol:

126.14

Dipole, Da:

4.02

IP(EA), eV:

 -8.46(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-[5-(5-methylpyrido[4,3-b]indol-7-yl)pyridin-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=CN=CC(=C2)C3=CC\4=C(NN/C4=C\5/C=C6C(=N5)C=CC=C6C7=COC=C7)N=C3

DOS

IR

Vibrations