Geometry & MOs

Info

ID:	247828
PubChem CID:	103076930
Reduced:	ClOSN5C9H12 (1)
Stoich.:	ABCD5E9F12 (1)
Weight, g/mol:	251.093773
ΔH_f, kcal/mol:	50.57
Dipole, Da:	6.56
IP(EA), eV:	-8.91(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations