Geometry & MOs

Info

ID:	64956
PubChem CID:	29204250
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	286.057612
ΔH_f, kcal/mol:	14.21
Dipole, Da:	4.32
IP(EA), eV:	-9.27(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-(pyridin-3-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)/C=C/C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations