Geometry & MOs
Info
ID: |
312839 |
PubChem CID: |
126609112 |
Reduced: |
N2C10H17 (1) |
Stoich.: |
A2B10C17 (1) |
Weight, g/mol: |
1918.016373 |
ΔHf, kcal/mol: |
13.3 |
Dipole, Da: |
2.38 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.947427 |
Charge, e: |
8 |
Chem-info
IUPAC name:
[1-(2-aminoethyl)pyridin-1-ium-4-yl]methyl 3-[3,8,13,17-tetrakis[2-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-2-oxoethyl]-7,12,18-tris[3-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methoxy]-3-oxopropyl]-5,10,15,20,21,22,23,24-octahydroporphyrin-2-yl]propanoate