Geometry & MOs

Info

ID:

382902

PubChem CID:

134974334

Reduced:

ON4C38H40 (1)

Stoich.:

AB4C38D40 (1)

Weight, g/mol:

470.268176

ΔHf, kcal/mol:

173.48

Dipole, Da:

4.24

IP(EA), eV:

 -7.63(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(E)-[(5E)-5-[[5-[(E)-(3,4-dimethyl-5-oxopyrrol-2-ylidene)methyl]-3-ethyl-4-methyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-ylidene]methyl]-3,4-dimethylpyrrol-2-one

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=C(C1=N2)C6=CC=C(C=C6)C(=O)C)C(=C5C)CC)N4)C)C)C)C)C

DOS

IR

Vibrations