Geometry & MOs

Info

ID:	365815
PubChem CID:	127318546
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-178.96
Dipole, Da:	2.34
IP(EA), eV:	-9.4(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)NCCC(=O)N3CCOCC3

DOS

IR

Vibrations