Geometry & MOs

Info

ID:	260592
PubChem CID:	103196465
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	3.97
IP(EA), eV:	-8.98(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=CC=C1OC)N2CCCC3C2CNC3=O)N

DOS

IR

Vibrations