Geometry & MOs

Info

ID:	306998
PubChem CID:	125264601
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-18.02
Dipole, Da:	3.21
IP(EA), eV:	-8.93(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aS)-1-[(2-methoxypyridin-3-yl)methyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)[C@@H]2CN([C@@H]3[C@H]2OCCC3)CC4=CC=CO4

DOS

IR

Vibrations