Geometry & MOs

Info

ID:	247827
PubChem CID:	103076910
Reduced:	ClN5C15H16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	273.045109
ΔH_f, kcal/mol:	94.21
Dipole, Da:	6.21
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-methyl-N-(2-methylsulfinylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NCC(C)C3=CC=CC=C3

DOS

IR

Vibrations