Geometry & MOs

Info

ID:	247818
PubChem CID:	103075938
Reduced:	BrOCl2N4H7C12 (1)
Stoich.:	ABC2D4E7F12 (1)
Weight, g/mol:	225.078123
ΔH_f, kcal/mol:	75.45
Dipole, Da:	3.88
IP(EA), eV:	-9.74(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations