Geometry & MOs

Info

ID:	204952
PubChem CID:	80035795
Reduced:	FN5C11H14 (1)
Stoich.:	AB5C11D14 (1)
Weight, g/mol:	285.057198
ΔH_f, kcal/mol:	36.36
Dipole, Da:	2.08
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCCN(C1)C2=NN3C=C(C=CC3=N2)F

DOS

IR

Vibrations