Geometry & MOs

Info

ID:	177256
PubChem CID:	76155055
Reduced:	O3N5C14H19 (1)
Stoich.:	A3B5C14D19 (1)
Weight, g/mol:	372.266445
ΔH_f, kcal/mol:	-21.28
Dipole, Da:	5.61
IP(EA), eV:	-9.16(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methoxymethyl)-3-octadec-13-en-9,11-diynyloxolan-2-one

Drug info:

PubChemData

Smile

COC1=NC=NC(=C1)NC2=NCC3(O2)C[N+]4(CCC3CC4)[O-]

DOS

IR

Vibrations