Geometry & MOs

Info

ID:	333919
PubChem CID:	127252471
Reduced:	ON2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	340.169939
ΔH_f, kcal/mol:	-34.34
Dipole, Da:	4.26
IP(EA), eV:	-9.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,9aS)-2-(2-fluorophenyl)-1-pyrazin-2-yl-3,3a,4,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocin-5-one

Drug info:

PubChemData

Smile

C[C@]12C[C@H](N[C@H]1CCCCCN2C(=O)C3=NNC(=O)C=C3)CC4=CC=CC=C4

DOS

IR

Vibrations