Geometry & MOs

Info

ID:	249217
PubChem CID:	103087804
Reduced:	ClNOSC13H20 (1)
Stoich.:	ABCDE13F20 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	2.95
IP(EA), eV:	-7.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-4-methyl-N-(4-methylsulfanylbutyl)aniline

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NCCCCSC)Cl

DOS

IR

Vibrations