Geometry & MOs

Info

ID:

382903

PubChem CID:

134974335

Reduced:

O2N4C29H34 (1)

Stoich.:

A2B4C29D34 (1)

Weight, g/mol:

470.268176

ΔHf, kcal/mol:

3.24

Dipole, Da:

5.74

IP(EA), eV:

 -8.47(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC\1=C(/C(=C\C2=NC(=O)C(=C2C)C)/N/C1=C/C3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)C)C)C)CC)C

DOS

IR

Vibrations