Geometry & MOs

Info

ID:	132497
PubChem CID:	51370577
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	428.10994
ΔH_f, kcal/mol:	-110.42
Dipole, Da:	0.74
IP(EA), eV:	-9.13(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromohexyl)-6-pyrrolidin-1-ylbenzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C2=CC=C(C=C2)OC)CC(=O)NCCC(C)C

DOS

IR

Vibrations