Geometry & MOs

Info

ID:	443218
PubChem CID:	135258150
Reduced:	NSC17H31 (1)
Stoich.:	ABC17D31 (1)
Weight, g/mol:	252.154787
ΔH_f, kcal/mol:	-39.58
Dipole, Da:	2.06
IP(EA), eV:	-9.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylpropoxy)ethyl]-4-(2-methylsulfanylethyl)benzene

Drug info:

PubChemData

Smile

CCCCCCC(CCCCCC)C1=C(N=CS1)C

DOS

IR

Vibrations