Geometry & MOs

Info

ID:	445405
PubChem CID:	135266887
Reduced:	NC3H7 (3)
Stoich.:	AB3C7 (3)
Weight, g/mol:	411.120147
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	0.63
IP(EA), eV:	-8.24(2.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(6-aminopyridin-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]methylsulfanyl]-3-hydrazinylpyridine-2,6-diamine

Drug info:

PubChemData

Smile

CC(C)C(NC)N1CCCN1C

DOS

IR

Vibrations