Geometry & MOs

Info

ID:	132905
PubChem CID:	51444464
Reduced:	ClOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	52.14
Dipole, Da:	6.42
IP(EA), eV:	-8.39(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethyl)-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CSC1=NN2[C@@H]([C@@H]3C(=NC2=N1)CCCC3=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations