Geometry & MOs

Info

ID:	432674
PubChem CID:	135172810
Reduced:	O2N5C25H27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	458.195405
ΔH_f, kcal/mol:	16.64
Dipole, Da:	6.69
IP(EA), eV:	-8.67(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzoxazol-2-yloxy)-1-[4-[1-hydroxy-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCC(CC1)C(=O)CC2C3=CC=CC=C3C4=CN=CN24)C5=CC=CC=N5

DOS

IR

Vibrations