Geometry & MOs

Info

ID:

386681

PubChem CID:

134982521

Reduced:

O4C19H28 (1)

Stoich.:

A4B19C28 (1)

Weight, g/mol:

1356.646479

ΔHf, kcal/mol:

-165.07

Dipole, Da:

3.28

IP(EA), eV:

-8.9(0.13)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

13,17-dibutyl-5-[4-[(E)-2-[4-(13,17-dibutyl-2,8-diethyl-3,7,12,18-tetramethylporphyrin-22,24-diid-5-yl)phenyl]ethenyl]phenyl]-2,8-diethyl-3,7,12,18-tetramethylporphyrin-22,24-diide;nickel(2+)

Drug info:

PubChemData

Smile

CC1=C2COCC2=C3COCCCCCCOCC3=C1COC

DOS

IR

Vibrations