Geometry & MOs

Info

ID:	412709
PubChem CID:	135085623
Reduced:	OC16H22 (1)
Stoich.:	AB16C22 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	2.83
IP(EA), eV:	-9.3(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(2R,3S)-3-pentyloxiran-2-yl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)C2(CCCCC2=O)C

DOS

IR

Vibrations