Geometry & MOs

Info

ID:	260614
PubChem CID:	103197456
Reduced:	BrON4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	5.56
IP(EA), eV:	-9.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CC(=N1)Br)N2CCCC(C2)C(=O)NC

DOS

IR

Vibrations