Geometry & MOs

Info

ID:	255800
PubChem CID:	103134801
Reduced:	ClNOSC12H16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	257.064113
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	4.06
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[(5-methyloxolan-2-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC1CCC(O1)CSC2=C(C=CC=C2Cl)N

DOS

IR

Vibrations