Geometry & MOs

Info

ID:	432590
PubChem CID:	135172724
Reduced:	NOC10H11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	-38.05
Dipole, Da:	0.25
IP(EA), eV:	-9.55(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)NC)C3=CC=CC=C3

DOS

IR

Vibrations