Geometry & MOs

Info

ID:	256235
PubChem CID:	103137883
Reduced:	SBr2N2H10C14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	94.18
Dipole, Da:	2.51
IP(EA), eV:	-9.33(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-methyloxolan-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC(=C(S3)Br)Br)N

DOS

IR

Vibrations