Geometry & MOs

Info

ID:	209342
PubChem CID:	80656504
Reduced:	BrS2N3H12C13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	274.100066
ΔH_f, kcal/mol:	69.76
Dipole, Da:	3.03
IP(EA), eV:	-8.84(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)propyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)N=C(S2)CCCC3=CSC(=N3)N

DOS

IR

Vibrations