Geometry & MOs
Info
ID: |
180550 |
PubChem CID: |
76651807 |
Reduced: |
NOWC11H18 (1) |
Stoich.: |
ABCD11E18 (1) |
Weight, g/mol: |
518.164026 |
ΔHf, kcal/mol: |
95.23 |
Dipole, Da: |
1.8 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 2.628545 |
Charge, e: |
0 |
Chem-info
IUPAC name:
1-[3,4-bis(trifluoromethoxy)phenyl]-N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide