Geometry & MOs

Info

ID:	308118
PubChem CID:	125317023
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	76.66
Dipole, Da:	6.06
IP(EA), eV:	-8.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4S)-5-[2-[(5R)-5-methoxy-5H-indol-3-yl]ethyl]-4-methyl-2-phenyl-4,7-dihydro-3aH-pyrazolo[4,3-c]pyridine-3,6-dione

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H]([C@@H]2C1)C=C4[C@H]3N(CCC4)C(=O)C5=NNC6=CC=CC=C65

DOS

IR

Vibrations