Geometry & MOs

Info

ID:	260152
PubChem CID:	103183332
Reduced:	SCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	24.5
Dipole, Da:	5.41
IP(EA), eV:	-8.52(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)sulfanylmethyl]-3,5-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1N)C)CSC2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations