Geometry & MOs

Info

ID:	335147
PubChem CID:	127254008
Reduced:	ClFN3O8H27C33 (1)
Stoich.:	ABC3D8E27F33 (1)
Weight, g/mol:	440.173607
ΔH_f, kcal/mol:	-267.15
Dipole, Da:	6.84
IP(EA), eV:	-8.7(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-anilinopropyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC=C(O4)C5=CC=C(C=C5)F)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations