Geometry & MOs

Info

ID:	361895
PubChem CID:	127304891
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	391.247107
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	4.71
IP(EA), eV:	-9.02(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CCCCC3CN4CCOCC4

DOS

IR

Vibrations