Geometry & MOs

Info

ID:	165895
PubChem CID:	74610384
Reduced:	O2N5C18H28 (1)
Stoich.:	A2B5C18D28 (1)
Weight, g/mol:	345.216475
ΔH_f, kcal/mol:	51.87
Dipole, Da:	5.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789325
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylimidazolidin-2-yl)methyl]-N-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)N(CC1NCC[NH+]1C)CC2=NC(=NO2)COC3=CC=CC=C3

DOS

IR

Vibrations