Geometry & MOs

Info

ID:	399285
PubChem CID:	135039401
Reduced:	NOC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	0.99
IP(EA), eV:	-8.13(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-5-phenyl-2-propan-2-yl-1,3-dioxan-4-one

Drug info:

PubChemData

Smile

CCCCOC(C)N(C)C1=CC=CC=C1

DOS

IR

Vibrations