Geometry & MOs

Info

ID:	126085
PubChem CID:	50950930
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	339.149538
ΔH_f, kcal/mol:	66.18
Dipole, Da:	6.43
IP(EA), eV:	-8.59(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CN2C=NC(=C2COCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations