Geometry & MOs

Info

ID:	63010
PubChem CID:	26737978
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	301.19026
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	3.43
IP(EA), eV:	-9.06(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2R,3S)-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=C(OC(=C2)C)C

DOS

IR

Vibrations