Geometry & MOs

Info

ID:	326294
PubChem CID:	126687289
Reduced:	NOF2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	354.210742
ΔH_f, kcal/mol:	-120.36
Dipole, Da:	0.35
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations