Geometry & MOs

Info

ID:	161222
PubChem CID:	57391079
Reduced:	FN5H12C16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	361.095058
ΔH_f, kcal/mol:	79.19
Dipole, Da:	3.13
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-fluorophenyl)methyl]-1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC2=C3C=CC=CN3C(=N2)C4=NC=NN4)F

DOS

IR

Vibrations