Geometry & MOs

Info

ID:	32451
PubChem CID:	7836212
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-165.0
Dipole, Da:	2.38
IP(EA), eV:	-8.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations