Geometry & MOs

Info

ID:	251674
PubChem CID:	103105885
Reduced:	BrN3O3C14H16 (1)
Stoich.:	AB3C3D14E16 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-51.9
Dipole, Da:	2.61
IP(EA), eV:	-9.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2,3-dihydro-1H-inden-5-ylmethyl)-5-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations