Geometry & MOs

Info

ID:	365762
PubChem CID:	127318487
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	9.44
IP(EA), eV:	-8.64(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(7-oxabicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(=O)N2CCN(CC2)C3CCN(C3=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations