Geometry & MOs

Info

ID:	232076
PubChem CID:	87575390
Reduced:	O3C10H14 (1)
Stoich.:	A3B10C14 (1)
Weight, g/mol:	365.153955
ΔH_f, kcal/mol:	-96.31
Dipole, Da:	5.44
IP(EA), eV:	-10.09(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-cyano-N-[2-[4-(4-cyano-3-fluorophenyl)phenyl]ethyl]carbamate

Drug info:

PubChemData

Smile

CC/C=C/C1C(CC2C1O2)C(=O)O

DOS

IR

Vibrations