Geometry & MOs

Info

ID:	381653
PubChem CID:	134972451
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-1.43
Dipole, Da:	7.17
IP(EA), eV:	-8.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylhept-5-en-1-yn-3-yloxymethyl)-4-nitrobenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations