Geometry & MOs

Info

ID:	198731
PubChem CID:	79142099
Reduced:	ClSN5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	254.08777
ΔH_f, kcal/mol:	76.89
Dipole, Da:	7.24
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-amino-5-methylphenyl)sulfanylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)CSC2=C(C=CC(=C2)N)Cl

DOS

IR

Vibrations