Geometry & MOs

Info

ID:	260565
PubChem CID:	103195368
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	6.11
IP(EA), eV:	-9.54(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=O)N1CCCC2C1CNC2=O

DOS

IR

Vibrations