Geometry & MOs

Info

ID:	63011
PubChem CID:	26737980
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	2.27
Dipole, Da:	4.54
IP(EA), eV:	-9.54(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=NN3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations