Geometry & MOs

Info

ID:	344250
PubChem CID:	127267426
Reduced:	ClNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-62.33
Dipole, Da:	6.59
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-oxazol-2-yl)-2-phenylethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C1CCCC2=C(C=CC(=C12)Cl)OC)C(=O)C=C

DOS

IR

Vibrations