Geometry & MOs

Info

ID:	120744
PubChem CID:	50742898
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	5.75
IP(EA), eV:	-9.6(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)methyl 5-methyl-1-phenyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations