Geometry & MOs

Info

ID:	247831
PubChem CID:	103076942
Reduced:	ClOSN5C11H16 (1)
Stoich.:	ABCD5E11F16 (1)
Weight, g/mol:	265.109423
ΔH_f, kcal/mol:	35.27
Dipole, Da:	11.32
IP(EA), eV:	-8.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)CCS(=O)C

DOS

IR

Vibrations