Geometry & MOs

Info

ID:	382852
PubChem CID:	134974241
Reduced:	NO3C7H9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	356.29266
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	4.74
IP(EA), eV:	-10.62(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1-hydroxypentadecyl)-2,2-dimethyl-1,3-dioxan-5-one

Drug info:

PubChemData

Smile

C[C@@]12[C@@H]([C@H]1[N+](=O)[O-])CCC2=O

DOS

IR

Vibrations