Geometry & MOs

Info

ID:	419540
PubChem CID:	135108396
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-8.62
Dipole, Da:	6.28
IP(EA), eV:	-9.54(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3-oxopropyl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CC3=NN=CN3C(C)C

DOS

IR

Vibrations