Geometry & MOs

Info

ID:	407890
PubChem CID:	135080645
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-94.75
Dipole, Da:	3.89
IP(EA), eV:	-9.4(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(1S)-1-cyano-2,2-dimethylpropyl] carbonate

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)C=C(C[C@H]1C2=CC=CO2)OC

DOS

IR

Vibrations