Geometry & MOs

Info

ID:	204782
PubChem CID:	80006771
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	262.077599
ΔH_f, kcal/mol:	-146.27
Dipole, Da:	1.74
IP(EA), eV:	-9.08(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(aminomethyl)furan-2-yl]-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

Drug info:

PubChemData

Smile

CCCOC1=NC(=CN=C1)NCC2CCC(O2)C(=O)O

DOS

IR

Vibrations