Geometry & MOs

Info

ID:	260566
PubChem CID:	103195411
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	260.127326
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	4.79
IP(EA), eV:	-9.63(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations