Geometry & MOs

Info

ID:	297183
PubChem CID:	117612130
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	190.075881
ΔH_f, kcal/mol:	-72.37
Dipole, Da:	6.15
IP(EA), eV:	-9.58(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-4-dimethylphosphorylbut-3-enyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC[C@H]1C#N)CC2=CC=CC=C2

DOS

IR

Vibrations