Geometry & MOs

Info

ID:	383089
PubChem CID:	134974611
Reduced:	O2N4H22C25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	122.036779
ΔH_f, kcal/mol:	29.17
Dipole, Da:	3.23
IP(EA), eV:	-8.42(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-3-buta-1,3-diynyloxiran-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC4=NC5=C(C=C4)C=CN5

DOS

IR

Vibrations