Geometry & MOs

Info

ID:	399237
PubChem CID:	135038988
Reduced:	NPC3O3H4 (1)
Stoich.:	ABC3D3E4 (1)
Weight, g/mol:	224.060407
ΔH_f, kcal/mol:	-122.87
Dipole, Da:	5.96
IP(EA), eV:	-10.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1R)-3-chloro-1-phenylmethoxyprop-2-enyl]oxirane

Drug info:

PubChemData

Smile

C(=C\OP(O)O)\C#N

DOS

IR

Vibrations