Geometry & MOs

Info

ID:	371722
PubChem CID:	131271241
Reduced:	ClNO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	238.113984
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	6.21
IP(EA), eV:	-9.58(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-tert-butyl-6-methyl-5,7-dihydrothieno[2,3-c]pyridin-4-one

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C#N)O)Cl

DOS

IR

Vibrations