Geometry & MOs

Info

ID:	260608
PubChem CID:	103197241
Reduced:	N3O4C14H23 (1)
Stoich.:	A3B4C14D23 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	-195.85
Dipole, Da:	7.84
IP(EA), eV:	-9.46(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carbonyl)-propan-2-ylamino]propanoic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C(=O)N2CCC[C@@H](C2)C(=O)O

DOS

IR

Vibrations