Geometry & MOs

Info

ID:	373252
PubChem CID:	131312261
Reduced:	BrNO3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	217.067369
ΔH_f, kcal/mol:	-108.77
Dipole, Da:	5.67
IP(EA), eV:	-9.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-thieno[2,3-c]pyridin-2-ylbutanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=C2CCCN2C1=O)Br

DOS

IR

Vibrations