Geometry & MOs

Info

ID:	373042
PubChem CID:	131308983
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	174.044757
ΔH_f, kcal/mol:	57.58
Dipole, Da:	2.89
IP(EA), eV:	-9.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-chloro-1-(3-methyloxolan-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C2=NON=C2CN

DOS

IR

Vibrations