Geometry & MOs

Info

ID:	357589
PubChem CID:	127294262
Reduced:	ON5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	385.247775
ΔH_f, kcal/mol:	0.39
Dipole, Da:	4.39
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCCCC1CN2CCN(CC2)C(=O)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations