Geometry & MOs

Info

ID:	14942
PubChem CID:	425043
Reduced:	O2N3H17C22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	355.132077
ΔH_f, kcal/mol:	14.86
Dipole, Da:	5.99
IP(EA), eV:	-8.58(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-pyrido[4,3-b]indol-5-ylpropyl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCN3C4=C(C=NC=C4)C5=CC=CC=C53

DOS

IR

Vibrations