Geometry & MOs

Info

ID:	260591
PubChem CID:	103196456
Reduced:	FON3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-79.46
Dipole, Da:	4.68
IP(EA), eV:	-9.34(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)[C@@H](C)N)N2CCCC3C2CNC3=O

DOS

IR

Vibrations