Geometry & MOs

Info

ID:	126829
PubChem CID:	50980312
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	226.05647
ΔH_f, kcal/mol:	-51.51
Dipole, Da:	1.52
IP(EA), eV:	-8.57(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzothiophen-7-yl)pyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C#CC1=CC(=CC=C1)C(=O)N2CC(C2)OC3=CC=CC=C3OC)O

DOS

IR

Vibrations