Geometry & MOs

Info

ID:	201369
PubChem CID:	79528546
Reduced:	ClSN2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	277.069198
ΔH_f, kcal/mol:	3.23
Dipole, Da:	3.19
IP(EA), eV:	-9.26(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(4-ethylphenyl)methylsulfanyl]aniline

Drug info:

PubChemData

Smile

CC(CCCC(C)N)C1=NC2=C(S1)C=C(C=C2)Cl

DOS

IR

Vibrations