Geometry & MOs

Info

ID:	380232
PubChem CID:	134970608
Reduced:	OPC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	390.03281
ΔH_f, kcal/mol:	-5.3
Dipole, Da:	0.75
IP(EA), eV:	-8.69(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(iodomethyl)-5-methyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-2-one

Drug info:

PubChemData

Smile

C1C[C@H](CC=C1)OP(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations