Geometry & MOs

Info

ID:	260621
PubChem CID:	103197770
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	288.08373
ΔH_f, kcal/mol:	-102.87
Dipole, Da:	5.09
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)C3=CC(=C(C=C3)N)C(=O)O

DOS

IR

Vibrations