Geometry & MOs

Info

ID:	247820
PubChem CID:	103076818
Reduced:	ClO2N5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	295.119988
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	4.13
IP(EA), eV:	-9.78(-1.45)
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)amino]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CC1=C(N2C(=NC=N2)N=C1Cl)N3CCOC(C3)CO

DOS

IR

Vibrations