Geometry & MOs

Info

ID:	306999
PubChem CID:	125264603
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-54.79
Dipole, Da:	4.32
IP(EA), eV:	-9.08(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-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

COC1=C(C=CC=N1)CN2CC[C@@H]3[C@@H]2CCC(=O)N3

DOS

IR

Vibrations