Geometry & MOs

Info

ID:	335525
PubChem CID:	127254387
Reduced:	SO3N7H11C15 (1)
Stoich.:	AB3C7D11E15 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	67.22
Dipole, Da:	8.39
IP(EA), eV:	-8.76(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[bis(2-hydroxyethyl)amino]propyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C=C2C1=NNC2=O)N3C(=NNC3=S)C4=CC=CC=N4

DOS

IR

Vibrations