Geometry & MOs

Info

ID:	184542
PubChem CID:	77174802
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	362.049191
ΔH_f, kcal/mol:	7.28
Dipole, Da:	1.46
IP(EA), eV:	-8.21(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate;hydrochloride

Drug info:

PubChemData

Smile

CN1COC(=C1)C2=CC=CC=C2

DOS

IR

Vibrations