Geometry & MOs

Info

ID:	253413
PubChem CID:	103118301
Reduced:	BrOSN3H12C14 (1)
Stoich.:	ABCD3E12F14 (1)
Weight, g/mol:	282.144038
ΔH_f, kcal/mol:	49.89
Dipole, Da:	5.45
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CS3)Br

DOS

IR

Vibrations