Geometry & MOs

Info

ID:	250704
PubChem CID:	103098445
Reduced:	BrO2N4C6H11 (1)
Stoich.:	AB2C4D6E11 (1)
Weight, g/mol:	277.01744
ΔH_f, kcal/mol:	-41.63
Dipole, Da:	1.11
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-bromo-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

C(COCCO)N1C(=NC(=N1)N)Br

DOS

IR

Vibrations