Geometry & MOs

Info

ID:	26784
PubChem CID:	798334
Reduced:	OH6C7 (3)
Stoich.:	AB6C7 (3)
Weight, g/mol:	342.078662
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	4.09
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4,6-dimethyl-N-(3-nitrophenyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations