Geometry & MOs

Info

ID:	355565
PubChem CID:	127289323
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	-55.94
Dipole, Da:	5.92
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations