Geometry & MOs

Info

ID:	242168
PubChem CID:	96079451
Reduced:	FON3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	246.128075
ΔH_f, kcal/mol:	26.12
Dipole, Da:	3.49
IP(EA), eV:	-9.32(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-(2-fluorophenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C2=NC3=CC=CC=C3N2O)N)F

DOS

IR

Vibrations