Geometry & MOs

Info

ID:	173308
PubChem CID:	75622276
Reduced:	N3O4C21H31 (1)
Stoich.:	A3B4C21D31 (1)
Weight, g/mol:	287.098
ΔH_f, kcal/mol:	-140.41
Dipole, Da:	4.17
IP(EA), eV:	-8.66(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C=CC(=O)N2CCN(CC2)CC(=O)NCCCOC

DOS

IR

Vibrations