Geometry & MOs

Info

ID:	220796
PubChem CID:	85239918
Reduced:	NC19H23 (1)
Stoich.:	AB19C23 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	40.79
Dipole, Da:	2.48
IP(EA), eV:	-8.12(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-(hydroxymethyl)-2-phenyl-1,3-dioxan-4-yl]acetate

Drug info:

PubChemData

Smile

CCCCC1CN(C1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations