Geometry & MOs

Info

ID:	260602
PubChem CID:	103196897
Reduced:	N2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-149.66
Dipole, Da:	5.48
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)CC(=O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations