Geometry & MOs

Info

ID:	260544
PubChem CID:	103194742
Reduced:	ON5C15H27 (1)
Stoich.:	AB5C15D27 (1)
Weight, g/mol:	291.174691
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	3.52
IP(EA), eV:	-8.91(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-amino-1-(3-fluorophenyl)propyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCC(C(C1=CN(N=C1)C)N2CCCC(C2)C(=O)NC)N

DOS

IR

Vibrations