Geometry & MOs

Info

ID:	192841
PubChem CID:	78319056
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	3.3
IP(EA), eV:	-8.69(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-methylpropyl)-1,3-oxazol-5-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=N1)C)C2CCN(CC2)C3CCCN(CC3)C(=O)OCC

DOS

IR

Vibrations