Geometry & MOs

Info

ID:	326342
PubChem CID:	126687364
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	383.226057
ΔH_f, kcal/mol:	-60.67
Dipole, Da:	4.21
IP(EA), eV:	-8.73(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(3aR,6aS)-5-benzyl-5-methoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-2-fluorophenol

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@@H]2CC1(CC3=CC=CC=C3)O)CSC4=CNC(=O)C=C4

DOS

IR

Vibrations