Geometry & MOs

Info

ID:	359767
PubChem CID:	127299714
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	393.160103
ΔH_f, kcal/mol:	-131.12
Dipole, Da:	7.77
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C(=O)N2)C(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations