Geometry & MOs
Info
ID: |
416555 |
PubChem CID: |
135089675 |
Reduced: |
N3O3C18H23 (1) |
Stoich.: |
A3B3C18D23 (1) |
Weight, g/mol: |
671.379518 |
ΔHf, kcal/mol: |
-85.54 |
Dipole, Da: |
7.85 |
IP(EA), eV: |
-8.91(-0.36) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(4R,7S,10R)-4-benzyl-17-(1-ethyl-5-methylpyrazole-4-carbonyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone