Geometry & MOs

Info

ID:	55592
PubChem CID:	17395613
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	265.057278
ΔH_f, kcal/mol:	44.21
Dipole, Da:	6.28
IP(EA), eV:	-9.27(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations