Geometry & MOs

Info

ID:	137450
PubChem CID:	52209710
Reduced:	O2F3N5H8C12 (1)
Stoich.:	A2B3C5D8E12 (1)
Weight, g/mol:	281.197751
ΔH_f, kcal/mol:	-118.73
Dipole, Da:	6.04
IP(EA), eV:	-9.79(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[3-(dimethylamino)propylamino]-2-hydroxy-4-(4-methylpiperazin-1-ium-1-ylidene)cyclobut-2-en-1-one

Drug info:

PubChemData

Smile

C1[C@H](N2C=NNC2=NC1=O)C(=O)NC3=CC(=C(C(=C3)F)F)F

DOS

IR

Vibrations