Geometry & MOs

Info

ID:	205094
PubChem CID:	80054898
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	260.098334
ΔH_f, kcal/mol:	45.73
Dipole, Da:	4.43
IP(EA), eV:	-8.62(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-pyridin-4-ylsulfanylpropoxy)aniline

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)SC2=CC=NC=C2

DOS

IR

Vibrations