Geometry & MOs

Info

ID:

443303

PubChem CID:

135258492

Reduced:

PO2C34H46 (2)

Stoich.:

AB2C34D46 (2)

Weight, g/mol:

238.062139

ΔHf, kcal/mol:

-245.26

Dipole, Da:

1.49

IP(EA), eV:

 -8.61(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-N'-[(Z)-(7-chloro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]ethene-1,1-diamine

Drug info:

PubChemData

Smile

CCCCC1=CC(=C(C=C1)OP(C2=CC=C(C=C2)C3=CC=C(C=C3)P(OC4=C(C=C(C=C4)CCCC)CCCC)OC5=C(C=C(C=C5)CCCC)CCCC)OC6=C(C=C(C=C6)CCCC)CCCC)CCCC

DOS

IR

Vibrations