Geometry & MOs

Info

ID:	387095
PubChem CID:	134983966
Reduced:	ON4C28H32 (1)
Stoich.:	AB4C28D32 (1)
Weight, g/mol:	344.267508
ΔH_f, kcal/mol:	117.44
Dipole, Da:	4.81
IP(EA), eV:	-8.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-1-methoxy-3-(oxan-2-yloxy)butan-2-yl]imino-octyl-oxidoazanium

Drug info:

PubChemData

Smile

C1C(C1(CCOCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4)CCN=[N+]=[N-]

DOS

IR

Vibrations