Geometry & MOs

Info

ID:	374138
PubChem CID:	131324243
Reduced:	ClO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	275.98983
ΔH_f, kcal/mol:	-135.24
Dipole, Da:	5.53
IP(EA), eV:	-8.99(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-bromophenyl)-1,2-oxazol-5-yl]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1Cl)C)C(C(=O)C)O)OC

DOS

IR

Vibrations