Geometry & MOs

Info

ID:	343867
PubChem CID:	127267043
Reduced:	FN6C15H17 (1)
Stoich.:	AB6C15D17 (1)
Weight, g/mol:	328.181173
ΔH_f, kcal/mol:	57.2
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-fluoro-3-(1H-1,2,4-triazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC(C)N1C(=CC=N1)CNC2=CC(=C(C=C2)F)C3=NC=NN3

DOS

IR

Vibrations