Geometry & MOs

Info

ID:	413089
PubChem CID:	135086033
Reduced:	BO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	178.062994
ΔH_f, kcal/mol:	-184.58
Dipole, Da:	1.84
IP(EA), eV:	-9.59(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-phenylmethoxyoxirane-2-carbaldehyde

Drug info:

PubChemData

Smile

B(CC=C)(OCC(C)(C)C)OCC(C)(C)C

DOS

IR

Vibrations