Geometry & MOs

Info

ID:	40694
PubChem CID:	8144543
Reduced:	F2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	340.111973
ΔH_f, kcal/mol:	-258.84
Dipole, Da:	5.13
IP(EA), eV:	-9.08(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[(4-oxo-1H-[1]benzofuro[3,2-d]pyrimidin-2-yl)methyl]-(thiophen-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCOCC2)CCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations