Geometry & MOs

Info

ID:	306902
PubChem CID:	125264277
Reduced:	ON2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-16.44
Dipole, Da:	5.72
IP(EA), eV:	-8.8(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,7aR)-1-[2-(4-methoxyphenyl)acetyl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C[C@H]([C@@H]3[C@@H]2CCCO3)N(C)CC4=CC=CO4

DOS

IR

Vibrations