Geometry & MOs

Info

ID:	260597
PubChem CID:	103196647
Reduced:	N2O3C13H22 (1)
Stoich.:	A2B3C13D22 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-144.0
Dipole, Da:	5.4
IP(EA), eV:	-9.07(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(1R)-1-hydroxypropyl]phenyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(C)(CN1CCCC2C1CNC2=O)C(=O)OC

DOS

IR

Vibrations