Geometry & MOs

Info

ID:	326343
PubChem CID:	126687367
Reduced:	FNO2C24H30 (1)
Stoich.:	ABC2D24E30 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-111.49
Dipole, Da:	2.03
IP(EA), eV:	-8.79(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(3aS,6aR)-5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations