Geometry & MOs

Info

ID:	3886
PubChem CID:	10358
Reduced:	N2O3C13H26 (1)
Stoich.:	A2B3C13D26 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-87.17
Dipole, Da:	3.69
IP(EA), eV:	-9.65(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-hydroxy-1-methoxybutan-2-yl]imino-oct-1-enyl-oxidoazanium

Drug info:

PubChemData

Smile

CCCCCCC=C[N+](=N[C@@H](COC)[C@H](C)O)[O-]

DOS

IR

Vibrations