Geometry & MOs

Info

ID:	203515
PubChem CID:	79839990
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	4.4
Dipole, Da:	6.76
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CN=C(C=C2)C#N)CCO

DOS

IR

Vibrations