Geometry & MOs

Info

ID:	367795
PubChem CID:	127325853
Reduced:	N2O2C9H10 (2)
Stoich.:	A2B2C9D10 (2)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-124.35
Dipole, Da:	1.08
IP(EA), eV:	-9.1(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanooxan-4-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1(C#N)NC(=O)CCC(=O)N2CC(=O)NC3=CC=CC=C32

DOS

IR

Vibrations