Geometry & MOs

Info

ID:	128619
PubChem CID:	51052304
Reduced:	O3N5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-51.33
Dipole, Da:	5.96
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propylamino]-4-[2-(1H-indol-3-yl)ethylamino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N[C@H](C(=O)N2)CCC(=O)NC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations