Geometry & MOs

Info

ID:	222524
PubChem CID:	85305402
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	358.04298
ΔH_f, kcal/mol:	-139.8
Dipole, Da:	0.29
IP(EA), eV:	-8.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(iodomethyl)-4-phenyl-5-propan-2-yloxan-2-one

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=CC(=C2)C(CNC(COC)C3=CC=CC=C3)O)C

DOS

IR

Vibrations