Geometry & MOs

Info

ID:	324018
PubChem CID:	126676767
Reduced:	F3N7C20H24 (1)
Stoich.:	A3B7C20D24 (1)
Weight, g/mol:	399.217144
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	0.89
IP(EA), eV:	-8.16(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(2-benzylphenyl)methyl]pyrazol-4-yl]methyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1CNC(C2=C1C=CC(=C2)CN=C/C(=C\N)/CC3=CC(=NC(=C3N)N)N)C(F)(F)F

DOS

IR

Vibrations