Geometry & MOs

Info

ID:	60467
PubChem CID:	26697047
Reduced:	N3O4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-102.09
Dipole, Da:	10.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.019100
Charge, e:	0

Chem-info

IUPAC name:

N-(2-morpholin-4-ylethyl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCC4=CC=CC=C4

DOS

IR

Vibrations