Geometry & MOs

Info

ID:

337327

PubChem CID:

127257009

Reduced:

N2O3C15H16 (1)

Stoich.:

A2B3C15D16 (1)

Weight, g/mol:

549.219616

ΔHf, kcal/mol:

-63.65

Dipole, Da:

3.76

IP(EA), eV:

 -8.01(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(5Z)-4-methyl-5-[1-[3-methyl-5-[(E)-[5-[(Z)-pyrrol-2-ylidenemethyl]pyrrol-2-ylidene]methyl]-1H-pyrrol-2-yl]ethylidene]-3-trimethylsilyloxypyrrol-2-yl] pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCCOC(=O)C2=CN=CC=C2

DOS

IR

Vibrations