Geometry & MOs

Info

ID:	390151
PubChem CID:	134997396
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	474.261754
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	3.96
IP(EA), eV:	-8.47(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(oxan-2-yloxy)-2-[4-(oxan-2-yloxy)pent-1-ynyl]-4-(phenylmethoxymethyl)oxolan-2-ol

Drug info:

PubChemData

Smile

CC\1CCCC/C1=[N+](/C2CCCCC2)\[O-]

DOS

IR

Vibrations