Geometry & MOs

Info

ID:	438229
PubChem CID:	135227923
Reduced:	FN7H18C22 (1)
Stoich.:	AB7C18D22 (1)
Weight, g/mol:	260.143725
ΔH_f, kcal/mol:	131.02
Dipole, Da:	10.02
IP(EA), eV:	-8.92(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,5-dimethyltriazol-4-yl)-2-fluoro-6-methylphenyl]propan-1-imine

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C(=C2)F)N=CN3C(C4=CC=CC=N4)C5=CC=CC=N5

DOS

IR

Vibrations