Geometry & MOs

Info

ID:	252652
PubChem CID:	103112981
Reduced:	BrON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	282.099587
ΔH_f, kcal/mol:	-18.97
Dipole, Da:	4.1
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-N-ethyl-N-methylpropanamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=CC(=CN=C1)Br

DOS

IR

Vibrations