Geometry & MOs

Info

ID:	133485
PubChem CID:	51534231
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	3.97
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-oxobutyl]benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CCCN2C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations