Geometry & MOs

Info

ID:	201782
PubChem CID:	79582515
Reduced:	ClOSN3C14H16 (1)
Stoich.:	ABCD3E14F16 (1)
Weight, g/mol:	229.069198
ΔH_f, kcal/mol:	-19.49
Dipole, Da:	6.91
IP(EA), eV:	-8.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-methylpropylsulfanylmethyl)aniline

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N=C(N1)SCC2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations