Geometry & MOs

Info

ID:	389713
PubChem CID:	134994599
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	206.112922
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	5.72
IP(EA), eV:	-10.34(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-prop-2-enylsulfanylbutylbenzene

Drug info:

PubChemData

Smile

CCCC(=O)/C=C/C(C)(C)[N+](=O)[O-]

DOS

IR

Vibrations