Geometry & MOs

Info

ID:	411550
PubChem CID:	135084382
Reduced:	O5C12H18 (1)
Stoich.:	A5B12C18 (1)
Weight, g/mol:	250.120509
ΔH_f, kcal/mol:	-227.36
Dipole, Da:	4.66
IP(EA), eV:	-10.21(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4R,5R)-2,2,5-trimethyl-5-prop-2-enoyl-1,3-dioxolan-4-yl]pent-3-yn-2-one

Drug info:

PubChemData

Smile

CC1(OC(=O)C(C(=O)O1)CCC/C=C/CO)C

DOS

IR

Vibrations