Geometry & MOs

Info

ID:	215807
PubChem CID:	85085281
Reduced:	ON2C8H12 (1)
Stoich.:	AB2C8D12 (1)
Weight, g/mol:	153.078979
ΔH_f, kcal/mol:	-19.71
Dipole, Da:	6.74
IP(EA), eV:	-9.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

Drug info:

PubChemData

Smile

CC(C)C=C(C#N)NC(=O)C

DOS

IR

Vibrations