Geometry & MOs

Info

ID:	46294
PubChem CID:	10523769
Reduced:	N5H21C24 (1)
Stoich.:	A5B21C24 (1)
Weight, g/mol:	379.235873
ΔH_f, kcal/mol:	147.31
Dipole, Da:	5.31
IP(EA), eV:	-9.18(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-2-[(1E,3E,5E)-3-methyltrideca-1,3,5-trienyl]cyclopentyl] 2-nitrooxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)C(C#N)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations