Geometry & MOs

Info

ID:	24674
PubChem CID:	612114
Reduced:	FN5H14C15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	283.123324
ΔH_f, kcal/mol:	79.46
Dipole, Da:	9.82
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C=NN3C=NN=C3

DOS

IR

Vibrations