Geometry & MOs

Info

ID:	389490
PubChem CID:	134993247
Reduced:	OC10H12 (1)
Stoich.:	AB10C12 (1)
Weight, g/mol:	218.094294
ΔH_f, kcal/mol:	-12.53
Dipole, Da:	1.81
IP(EA), eV:	-9.45(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) (2S,3S)-3-[(E)-prop-1-enyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(C[C@@H]1O)C2=CC=CC=C2

DOS

IR

Vibrations