Geometry & MOs

Info

ID:	333948
PubChem CID:	127252500
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	315.231063
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	5.2
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(3aR,4R,6aS)-4-(pyrazin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@H](C1)CC3=CC=CC=N3)C4CCOCC4

DOS

IR

Vibrations