Geometry & MOs
Info
ID: |
174233 |
PubChem CID: |
75743685 |
Reduced: |
N2C18H25 (1) |
Stoich.: |
A2B18C25 (1) |
Weight, g/mol: |
509.24001 |
ΔHf, kcal/mol: |
42.97 |
Dipole, Da: |
7.14 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 1.330286 |
Charge, e: |
1 |
Chem-info
IUPAC name:
ethyl 3-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate