Geometry & MOs

Info

ID:	196530
PubChem CID:	78844861
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	291.169525
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	5.73
IP(EA), eV:	-9.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CCC(CC1)OC(=O)C2CCCCN2C(=O)C3=CC=CS3

DOS

IR

Vibrations