Geometry & MOs

Info

ID:	395581
PubChem CID:	135025886
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-134.69
Dipole, Da:	6.83
IP(EA), eV:	-10.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(oxane-4-carbonylamino)phenyl]iminocarbamate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]2CCC[C@H](N2C(=O)O1)C=O

DOS

IR

Vibrations