Geometry & MOs

Info

ID:	247824
PubChem CID:	103076890
Reduced:	ClON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	310.130887
ΔH_f, kcal/mol:	50.33
Dipole, Da:	3.88
IP(EA), eV:	-9.8(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)NC(C)C(=O)NC3CC3

DOS

IR

Vibrations