Geometry & MOs

Info

ID:	149962
PubChem CID:	53789645
Reduced:	O2F3N5C10H10 (1)
Stoich.:	A2B3C5D10E10 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-94.73
Dipole, Da:	3.0
IP(EA), eV:	-10.03(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydroxy-1-oxo-3-propylinden-2-yl)pentanamide

Drug info:

PubChemData

Smile

C1CN(C(=N1)C[N+](=O)[O-])CC2=CN=C(N=C2)C(F)(F)F

DOS

IR

Vibrations