Geometry & MOs

Info

ID:	27899
PubChem CID:	824072
Reduced:	ON3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	288.012412
ΔH_f, kcal/mol:	-9.05
Dipole, Da:	7.09
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-pyridin-3-yl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CC3=CC=CC=C3C4=C2C(=O)N=C(N4)CN5CCCC5

DOS

IR

Vibrations