Geometry & MOs

Info

ID:	130401
PubChem CID:	51075822
Reduced:	NO2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	3.99
IP(EA), eV:	-8.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CCCC1C2=CC(=CC=C2)OC

DOS

IR

Vibrations