Geometry & MOs

Info

ID:	243856
PubChem CID:	99289404
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-112.73
Dipole, Da:	4.64
IP(EA), eV:	-9.22(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-2-[2-oxo-2-[(2R)-2-[(1R)-1-phenylpropyl]pyrrolidin-1-yl]ethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[C@@H]([C@@H]1CCCN1C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C4=CC=CC=C4

DOS

IR

Vibrations