Geometry & MOs
Info
ID: |
165116 |
PubChem CID: |
74502351 |
Reduced: |
NOC9H20 (1) |
Stoich.: |
ABC9D20 (1) |
Weight, g/mol: |
306.160637 |
ΔHf, kcal/mol: |
-43.94 |
Dipole, Da: |
2.96 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.753127 |
Charge, e: |
1 |
Chem-info
IUPAC name:
4-phenyl-3-pyrrolidin-1-ium-1-yl-1,3-dihydro-1,5-benzodiazepin-2-one