Geometry & MOs

Info

ID:	205086
PubChem CID:	80053796
Reduced:	SN3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	230.08777
ΔH_f, kcal/mol:	53.67
Dipole, Da:	2.95
IP(EA), eV:	-8.85(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-pyridin-4-ylsulfanylethyl)aniline

Drug info:

PubChemData

Smile

CCNC(C)(CSC1=CC=NC=C1)C#N

DOS

IR

Vibrations