Geometry & MOs

Info

ID:	249216
PubChem CID:	103087800
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	273.095413
ΔH_f, kcal/mol:	-73.05
Dipole, Da:	2.22
IP(EA), eV:	-8.23(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-ethoxy-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

COCCOCC1=CC(=CC=C1)NCCCCSC

DOS

IR

Vibrations