Geometry & MOs

Info

ID:

412549

PubChem CID:

135085445

Reduced:

N3C18H23 (2)

Stoich.:

A3B18C23 (2)

Weight, g/mol:

924.285141

ΔHf, kcal/mol:

116.84

Dipole, Da:

7.89

IP(EA), eV:

 -8.37(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methanone;10-[2-[15-phenyl-10,20-bis(2,4,6-trimethylphenyl)porphyrin-22,24-diid-5-yl]ethynyl]-4-azatricyclo[5.2.1.02,6]decan-3-one;ruthenium(3+)

Drug info:

PubChemData

Smile

CN(C)C1=CC(=NC=C1)[C@@H](C2=CC=CC=C2)N(C)C3CCCCC3N(C)[C@H](C4=CC=CC=C4)C5=NC=CC(=C5)N(C)C

DOS

IR

Vibrations