Geometry & MOs

Info

ID:	324151
PubChem CID:	126677033
Reduced:	F3N7C17H18 (1)
Stoich.:	A3B7C17D18 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	4.9
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C=N2)CC3=CC(=NC(=C3N)NN)N

DOS

IR

Vibrations