Geometry & MOs

Info

ID:	198719
PubChem CID:	79141241
Reduced:	NS2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	255.083019
ΔH_f, kcal/mol:	36.97
Dipole, Da:	1.43
IP(EA), eV:	-8.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-amino-2-methylphenyl)sulfanylmethyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N)SCCC2=CC=CS2

DOS

IR

Vibrations