Geometry & MOs

Info

ID:	323599
PubChem CID:	126675549
Reduced:	OF3N7H14C17 (1)
Stoich.:	AB3C7D14E17 (1)
Weight, g/mol:	393.152493
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	4.86
IP(EA), eV:	-9.05(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydrazinyl-4-[[1-[[3-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]methyl]pyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)CN2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations