Geometry & MOs

Info

ID:	48031
PubChem CID:	10536702
Reduced:	SN2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	79.23
Dipole, Da:	1.28
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(2-phenylethyl)-3-[(E)-prop-1-enyl]oxolane

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)N=CC2=NC=CS2

DOS

IR

Vibrations