Geometry & MOs

Info

ID:	411658
PubChem CID:	135084492
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	91.74
Dipole, Da:	5.97
IP(EA), eV:	-9.64(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(but-2-ynoxymethyl)-3-phenyloxirane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C#CC(=O)N=[N+]=[N-]

DOS

IR

Vibrations