Geometry & MOs
Info
ID: |
445793 |
PubChem CID: |
135269582 |
Reduced: |
NO2C10H20 (1) |
Stoich.: |
AB2C10D20 (1) |
Weight, g/mol: |
262.15037 |
ΔHf, kcal/mol: |
-74.42 |
Dipole, Da: |
4.12 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751162 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(3S)-3,5-dimethyl-4-[(4-methylphenyl)methyl]piperazine-1-carbothialdehyde