Geometry & MOs

Info

ID:	380990
PubChem CID:	134971608
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	253.095023
ΔH_f, kcal/mol:	60.97
Dipole, Da:	2.79
IP(EA), eV:	-7.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-(methoxymethyl)-2-(4-nitrophenyl)-1,3-dioxane

Drug info:

PubChemData

Smile

CC1C=C2C=CC=CC2=CNC1C=C

DOS

IR

Vibrations