Geometry & MOs

Info

ID:	397858
PubChem CID:	135030849
Reduced:	NO2C22H31 (1)
Stoich.:	AB2C22D31 (1)
Weight, g/mol:	348.287574
ΔH_f, kcal/mol:	-97.3
Dipole, Da:	1.85
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

CCCCCCC[C@@H](CCC(=O)OC)C1=CC(=NC2=CC=CC=C21)C

DOS

IR

Vibrations