Geometry & MOs

Info

ID:	401215
PubChem CID:	135050579
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	222.107836
ΔH_f, kcal/mol:	-96.84
Dipole, Da:	2.65
IP(EA), eV:	-8.55(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-(phenylsulfanylmethyl)oxirane

Drug info:

PubChemData

Smile

CCCC(=O)N(N1CCOCC1)N2CCOCC2

DOS

IR

Vibrations