Geometry & MOs

Info

ID:	260619
PubChem CID:	103197669
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-102.21
Dipole, Da:	3.38
IP(EA), eV:	-9.26(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CCC(CN1CCCC2C1CNC2=O)O

DOS

IR

Vibrations