Geometry & MOs

Info

ID:	128697
PubChem CID:	51054561
Reduced:	BrS2N6H7C11 (1)
Stoich.:	AB2C6D7E11 (1)
Weight, g/mol:	340.211055
ΔH_f, kcal/mol:	206.86
Dipole, Da:	4.08
IP(EA), eV:	-9.67(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylamino)propylamino]-4-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC\1=NN=C/C1=C/2\NN3C(=NN=C3S2)C4=CC=C(S4)Br

DOS

IR

Vibrations