Geometry & MOs

Info

ID:	397229
PubChem CID:	135029924
Reduced:	NO2H12C13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	314.318481
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	8.42
IP(EA), eV:	-9.62(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R)-2,4,16-trimethylheptadecane-1,3-diol

Drug info:

PubChemData

Smile

C1CC(C2N(C1)C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-])(CC4=CC=CC=C4)CC5=CC=CC=C5

DOS

IR

Vibrations