Geometry & MOs

Info

ID:	260526
PubChem CID:	103194429
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-88.23
Dipole, Da:	4.5
IP(EA), eV:	-7.99(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-aminoquinolin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CCCOC1=CC(=CC(=C1)N2CCCC(C2)C(=O)NC)N

DOS

IR

Vibrations