Geometry & MOs

Info

ID:	201342
PubChem CID:	79527380
Reduced:	ON2S2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	291.140533
ΔH_f, kcal/mol:	1.35
Dipole, Da:	0.88
IP(EA), eV:	-8.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)N)SCC2=CSC(=N2)C

DOS

IR

Vibrations