Geometry & MOs

Info

ID:	251673
PubChem CID:	103105868
Reduced:	FN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	353.0375
ΔH_f, kcal/mol:	-96.63
Dipole, Da:	7.18
IP(EA), eV:	-9.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2-bromo-5-methoxyphenyl)methyl]-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=CC(=C(C=C2)OC)F)C(=O)OC

DOS

IR

Vibrations