Geometry & MOs

Info

ID:	217151
PubChem CID:	85087341
Reduced:	NO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	338.0785
ΔH_f, kcal/mol:	-136.89
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772862
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-3,4-dimethyl-3-phenylselanyloxetan-2-one

Drug info:

PubChemData

Smile

CC(=O)C1(CC2CCCC3C2=[N+](C1=O)CCC3)O

DOS

IR

Vibrations