Geometry & MOs

Info

ID:	253406
PubChem CID:	103118200
Reduced:	ON4H10C14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	296.108482
ΔH_f, kcal/mol:	77.79
Dipole, Da:	4.95
IP(EA), eV:	-8.21(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(2,3-difluorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC4=C(O3)C=C(C=C4)N

DOS

IR

Vibrations