Geometry & MOs

Info

ID:	306967
PubChem CID:	125264461
Reduced:	F2O3N4H12C16 (1)
Stoich.:	A2B3C4D12E16 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-81.76
Dipole, Da:	5.46
IP(EA), eV:	-10.09(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-1-(furan-3-ylmethyl)-4-pyridin-3-yl-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=C[C@@H](C(=O)N=C1)C2=NOC(=N2)CNC(=O)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations