Geometry & MOs

Info

ID:	58334
PubChem CID:	24697832
Reduced:	BrFON2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	206.051384
ΔH_f, kcal/mol:	-2.82
Dipole, Da:	1.16
IP(EA), eV:	-9.46(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)NC(=O)C2=C(C=CC(=C2)Br)F

DOS

IR

Vibrations