Geometry & MOs

Info

ID:	343944
PubChem CID:	127267120
Reduced:	FON5C14H16 (1)
Stoich.:	ABC5D14E16 (1)
Weight, g/mol:	339.130695
ΔH_f, kcal/mol:	-8.9
Dipole, Da:	2.8
IP(EA), eV:	-9.08(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[2-(trifluoromethyl)phenyl]azetidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)C2CN(C2)C(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations