Geometry & MOs

Info

ID:	421599
PubChem CID:	135116283
Reduced:	ON4C13H24 (1)
Stoich.:	AB4C13D24 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-5.73
Dipole, Da:	2.74
IP(EA), eV:	-8.55(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC(CN(C)CCC1=CNN=C1)N2CCOCC2

DOS

IR

Vibrations