Geometry & MOs

Info

ID:	343945
PubChem CID:	127267121
Reduced:	OF3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	-125.38
Dipole, Da:	2.31
IP(EA), eV:	-9.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)C2CN(C2)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations