Geometry & MOs

Info

ID:	191724
PubChem CID:	78181678
Reduced:	N3O4C9H11 (1)
Stoich.:	A3B4C9D11 (1)
Weight, g/mol:	317.126323
ΔH_f, kcal/mol:	-120.74
Dipole, Da:	2.47
IP(EA), eV:	-9.68(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzodioxol-5-yl)-4,4a,5,6,7,8a,9,9a-octahydro-3aH-[1,3]dioxolo[4,5-g]quinolin-8-one

Drug info:

PubChemData

Smile

CC1C(=O)C=CC(O1)N2C(=O)NC(=O)CN2

DOS

IR

Vibrations