Geometry & MOs

Info

ID:	51990
PubChem CID:	12014761
Reduced:	O6C15H28 (1)
Stoich.:	A6B15C28 (1)
Weight, g/mol:	140.08373
ΔH_f, kcal/mol:	-161.49
Dipole, Da:	2.97
IP(EA), eV:	-9.24(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,3-dimethyloxiran-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OOCC(C)(/C=C/C(=O)OC)OOC(C)(C)C

DOS

IR

Vibrations