Geometry & MOs

Info

ID:	326207
PubChem CID:	126687084
Reduced:	FN2O4C22H27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-162.58
Dipole, Da:	4.19
IP(EA), eV:	-8.6(-1.16)
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]butan-2-yl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCC[C@@H]2CN(C[C@@H]2CO)CC(=O)C3=NC(=C(C=C3)O)F

DOS

IR

Vibrations