Geometry & MOs

Info

ID:	120746
PubChem CID:	50742900
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	361.103811
ΔH_f, kcal/mol:	-23.69
Dipole, Da:	5.27
IP(EA), eV:	-9.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(trifluoromethyl)phenyl]methyl 5-methyl-1-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)C(=O)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations