Geometry & MOs

Info

ID:	306929
PubChem CID:	125264379
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-50.01
Dipole, Da:	2.54
IP(EA), eV:	-8.58(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@H]2CN([C@H]3[C@@H]2OCCC3)CC4=C(N=CC=C4)OC

DOS

IR

Vibrations