Geometry & MOs

Info

ID:	341881
PubChem CID:	127264574
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-96.66
Dipole, Da:	5.6
IP(EA), eV:	-9.87(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-fluorooxan-4-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)C(C)(C)C1=CN=CC=C1

DOS

IR

Vibrations