Geometry & MOs

Info

ID:	260620
PubChem CID:	103197762
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	275.126991
ΔH_f, kcal/mol:	-103.12
Dipole, Da:	9.23
IP(EA), eV:	-9.27(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations