Geometry & MOs

Info

ID:	186803
PubChem CID:	77487375
Reduced:	SF3O3N4H27C29 (1)
Stoich.:	AB3C3D4E27F29 (1)
Weight, g/mol:	263.185844
ΔH_f, kcal/mol:	-179.99
Dipole, Da:	4.79
IP(EA), eV:	-9.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-methylpiperazin-1-yl)-N'-(5-methyl-1H-pyrazol-3-yl)prop-2-enimidamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(S1)C(=O)NC(CC2=CC=CC=C2C(F)(F)F)CN3COC4=CC=CC=C4C3=O)C5=CC=NN5C

DOS

IR

Vibrations