Geometry & MOs

Info

ID:	336193
PubChem CID:	127255200
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	334.038816
ΔH_f, kcal/mol:	-36.02
Dipole, Da:	6.23
IP(EA), eV:	-8.7(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2,4-dichlorophenyl)-2-(oxolan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations