Geometry & MOs

Info

ID:	323907
PubChem CID:	126676540
Reduced:	F3N8C22H25 (1)
Stoich.:	A3B8C22D25 (1)
Weight, g/mol:	462.246727
ΔH_f, kcal/mol:	-37.17
Dipole, Da:	3.86
IP(EA), eV:	-8.3(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2Z)-2-(aminomethylidene)-4,4,4-trifluoro-3-[(3-piperidin-4-ylphenyl)methylimino]butyl]-6-hydrazinylpyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1CNCCC1C2=CC=CC(=C2)CN3C(=C(C=N3)CC4=CC(=NC5=C4NNN5)N)C(F)(F)F

DOS

IR

Vibrations