Geometry & MOs

Info

ID:	326231
PubChem CID:	126687208
Reduced:	SN2O3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-110.18
Dipole, Da:	3.9
IP(EA), eV:	-8.71(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(3R,4S)-3-(hydroxymethyl)-4-(3-phenylpropyl)pyrrolidin-1-yl]propan-2-yl]-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3=CC=CC=C3)O)C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations