Geometry & MOs

Info

ID:	299122
PubChem CID:	117671508
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	214.09938
ΔH_f, kcal/mol:	-67.15
Dipole, Da:	4.18
IP(EA), eV:	-9.55(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(2-phenylethyl)-3-prop-2-ynyloxetan-2-one

Drug info:

PubChemData

Smile

C=CCCCCCCCC1[C@H](OC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations