Geometry & MOs

Info

ID:	242171
PubChem CID:	96079482
Reduced:	FN5C12H12 (1)
Stoich.:	AB5C12D12 (1)
Weight, g/mol:	192.081124
ΔH_f, kcal/mol:	66.92
Dipole, Da:	4.22
IP(EA), eV:	-8.65(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine

Drug info:

PubChemData

Smile

CN1C=CN2C1=NN=C2[C@H](C3=CC=CC=C3F)N

DOS

IR

Vibrations