Geometry & MOs

Info

ID:	205055
PubChem CID:	80048595
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	286.00654
ΔH_f, kcal/mol:	74.04
Dipole, Da:	2.59
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=N2)NC(C)C3CC3)C=C1

DOS

IR

Vibrations