Geometry & MOs

Info

ID:	335143
PubChem CID:	127254004
Reduced:	N4O6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	491.184506
ΔH_f, kcal/mol:	-192.01
Dipole, Da:	10.37
IP(EA), eV:	-8.32(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-oxo-3-[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]propyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=C(C=CC(=C4)OC)NC3=O)O

DOS

IR

Vibrations