Geometry & MOs

Info

ID:	192676
PubChem CID:	78299673
Reduced:	O3N4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-103.11
Dipole, Da:	5.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.864959
Charge, e:	0

Chem-info

IUPAC name:

2-(3-morpholin-4-ylpropyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC[N+]1=CN=C2C1C(=O)N(C(=O)N2C)CCCCC(=O)C

DOS

IR

Vibrations