Geometry & MOs

Info

ID:	449904
PubChem CID:	135302421
Reduced:	O3N9H27C28 (1)
Stoich.:	A3B9C27D28 (1)
Weight, g/mol:	456.179755
ΔH_f, kcal/mol:	73.22
Dipole, Da:	7.9
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzoyl]piperazin-1-yl]-2-phenylacetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=NC=C3)C(=O)N4CCN(CC4)[C@H](C5=CC=CC=C5)C6=NN(N=N6)C

DOS

IR

Vibrations