Geometry & MOs

Info

ID:	160981
PubChem CID:	57390426
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	7.19
IP(EA), eV:	-7.0(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridin-6-yl]benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=C([C@H]([C@H]4CCCCN4C3)O)C5=CC(=C(C=C25)OC)OC)OC

DOS

IR

Vibrations