Geometry & MOs

Info

ID:	138385
PubChem CID:	52357866
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	333.217818
ΔH_f, kcal/mol:	-22.6
Dipole, Da:	3.83
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-(3-morpholin-4-yl-3-oxopropyl)-[[(2S)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C[C@@H]2CCCO2)CC3=CC=CC=C3

DOS

IR

Vibrations