Geometry & MOs

Info

ID:	399096
PubChem CID:	135037737
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	246.089209
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	4.44
IP(EA), eV:	-9.84(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-2-oxo-4-(1-phenylethenyl)oxolane-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC([C@H](C1)C2=CC=CC=C2)(C#N)C(=O)O

DOS

IR

Vibrations